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                             4350 results found
no title author magazine year volume issue page(s) type
3001 Photophysics of organically-capped silicon nanocrystals – A closer look into silicon nanocrystal luminescence using low temperature transient spectroscopy Maier-Flaig, Florian
 2012
 436-437 C p. 175-180
6 p.
 article
3002 Photosynthetic light harvesting: Insights from multidisciplinary approaches Gelin, Maxim F.
436-437 C p.
 article
3003 Photovoltaic properties of cadmium selenide–titanyl phthalocyanine planar heterojunction devices Szostak, J.
 2015
 436-437 C p. 57-60
4 p.
 article
3004 Physical and chemical insights into molecular adsorption of copolymer’s monomers on Rutile surface Ta, D.T.
 2019
 436-437 C p. 8-20
 article
3005 Physical and optoelectronic properties of double halide perovskites A2CuSbX6 (A = Cs, Rb, K; X  = Cl, Br, I) based on first principles calculations Tang, Tian-Yu
436-437 C p.
 article
3006 Physical model of proton-pumping Q-cycle in respiratory and photosynthetic electron transport chains Mourokh, Lev
436-437 C p.
 article
3007 Physical properties and Raman spectroscopy inquiry of copper laden bio-relevant calcium phosphate glasses and the exposed to γ-irradiation Jiménez, José A.
436-437 C p.
 article
3008 Physical properties of novel double perovskite oxides Ba2XSbO6(X = P, As) by first-principle calculations Dai, Qi
436-437 C p.
 article
3009 Physico-chemical investigation of catalytic oxidation sites in 4%Rh/CeO2 catalysts prepared by impregnation and deposition–precipitation methods Labaki, Madona
 2019
 436-437 C p.
 article
3010 Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches de Lara-Castells, María Pilar
 2012
 436-437 C p. 272-280
9 p.
 article
3011 Physisorption to chemisorption transition of NO2 on graphene induced by the interplay of SiO2 substrate and van der Waals forces: A first principles study Dai, Jiayu
 2012
 436-437 C p. 161-166
6 p.
 article
3012 Picture change error in quasirelativistic electron/spin density, Laplacian and bond critical points Bučinský, Lukáš
 2014
 436-437 C p. 37-47
11 p.
 article
3013 Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations Marana, Naiara Letícia
 2017
 436-437 C p. 98-107
 article
3014 Piezoelectric flexible nanogenerator based on ZnO nanosheet networks for mechanical energy harvesting Manjula, Y.
436-437 C p.
 article
3015 Pinning the most stable H x C y O z isomers in space by means of high-level theoretical procedures Karton, Amir
 2014
 436-437 C p. 22-28
7 p.
 article
3016 Planarization of negatively curved [7]circulene on a graphene monolayer Karton, Amir
436-437 C p.
 article
3017 Plasma-chemical processes under high-power gyrotron’s discharge in the mixtures of metal and dielectric powders Akhmadullina, N.S.
436-437 C p. 63-70
 article
3018 Plasma induced graft co-polymerized electrospun polyethylene terephalate membranes for removal of Cu2+ from aqueous solution Cao, Ding
436-437 C p.
 article
3019 Plasmon enhanced heterogeneous electron transfer with continuous band energy model Zhao, Dandan
 2017
 436-437 C p. 194-199
6 p.
 article
3020 Plasmon enhanced molecular absorption: A mixed quantum–classical description of supramolecular complexes attached to a metal nanoparticle Megow, Jörg
 2014
 436-437 C p. 6-13
8 p.
 article
3021 Plasmonic interactions of photosystem I with Fischer patterns made of Gold and Silver Brecht , Marc
 2012
 436-437 C p. 15-20
6 p.
 article
3022 p-N,N′-tetraacetylodiaminodurene. The structure and vibrational spectra Bator, G.
 2015
 436-437 C p. 148-154
7 p.
 article
3023 Polarimetry study of the intrinsic rotation of (1R,4R)-(+)-camphor in organic solvents Sorfleet, John T.
436-437 C p.
 article
3024 Polarizability study of nematic liquid crystal 4-cyano-4′-pentylbiphenyl (5CB) and its nitrogen derivatives Upadhyay, Pranav
 2015
 436-437 C p. 41-46
6 p.
 article
3025 Polarization-enhanced bonding process of halogen bond, a theoretical study on F–H/F–X (X=F,Cl,Br,I) and ammonia Bi, Fuzhen
 2013
 436-437 C p. 16-22
7 p.
 article
3026 Poly(benzyl acrylate) structural and thermodynamic properties in imidazolium-based ionic liquids: A molecular dynamics simulations study J, Srivats
436-437 C p.
 article
3027 Polycyclic aromatic hydrocarbons as finite size models of graphene and graphene nanoribbons: Enhanced electron density edge effect Mishra, P.C.
 2012
 436-437 C p. 56-68
13 p.
 article
3028 Polymerization of organoalkoxysilanes: Kinetics of the polycondensation progress and the effect of solvent properties and salts addition Issa, Ahmed A.
436-437 C p.
 article
3029 Polymers’ surface interactions with molten iron: A theoretical study Assadi, M. Hussein N.
 2014
 436-437 C p. 107-111
5 p.
 article
3030 Polymer translocation in solid-state nanopores: Dependence on hydrodynamic interactions and polymer configuration Edmonds, Christopher M.
 2013
 436-437 C p. 1-13
13 p.
 article
3031 Polymorphic drugs examined with neutron spectroscopy: Is making more stable forms really that simple? Tsapatsaris, Nikolaos
 2013
 436-437 C p. 124-128
5 p.
 article
3032 Polymorphs of 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid (Diclofenac): Differences from crystallography, Hirshfeld surface, QTAIM and NCIPlots Morales-Toyo, Miguel
436-437 C p.
 article
3033 Poole-Frenkel mobility field dependence in molecularly doped polymers revisited Tyutnev, A.P.
 2017
 436-437 C p. 172-176
5 p.
 article
3034 Positron annihilation studies in binary solid solutions and mechanical mixtures of lanthanide dipivaloylmethanate complexes Fulgêncio, F.
 2015
 436-437 C p. 89-97
9 p.
 article
3035 Positronium bubble in liquid alkanes and alcohols Zgardzińska, Bozena
 2012
 436-437 C p. 32-39
8 p.
 article
3036 Positronium in solid phases of n-alkane binary mixtures Zgardzińska, B.
 2015
 436-437 C p. 62-67
6 p.
 article
3037 Positrons in cyclohexane. Photoionization of positronium in solid phase? Zgardzińska, B.
 2013
 436-437 C p. 10-14
5 p.
 article
3038 Possibility of the right-opened Mn-oxo intermediate (R-oxo(4444)) among all nine intermediates in the S3 state of the oxygen-evolving complex of photosystem II revealed by large-scale QM/MM calculations Shoji, Mitsuo
 2019
 436-437 C p. 81-90
 article
3039 Possible indirect to direct bandgap transition in SnS2 via nickel doping Sainbileg, Batjargal
 2019
 436-437 C p. 59-64
 article
3040 Possible influence of the Kuramoto length in a photo-catalytic water splitting reaction revealed by Poisson–Nernst–Planck equations involving ionization in a weak electrolyte Suzuki, Yohichi
 2018
 436-437 C p. 39-49
 article
3041 Post-decorated surface fluorophores enhance the photoluminescence of carbon quantum dots Dang, Thu-Huyen Thi
 2019
 436-437 C p.
 article
3042 Potential energy surface of excited semiconductors: Graphene quantum dot and BODIPY Colherinhas, Guilherme
 2016
 436-437 C p. 1-6
6 p.
 article
3043 Potential energy surface of interaction of two diatomic molecules for air flows simulation at intermediate temperatures Yakunchikov, Artem
436-437 C p.
 article
3044 Potential energy surfaces for electron dynamics from a model of localized Gaussian wave packets with valence-bond spin-coupling: High-harmonic generation spectra from H and He atoms Ando, Koji
436-437 C p.
 article
3045 Potential energy surfaces of the Cu 2 + ( NH 3 ) n = 1 − 10 clusters in solvent phase: A DFT study Da-yang, Tabouli Eric
436-437 C p.
 article
3046 Power spectrum of relativistic heliumlike ions strongly coupled to two coherent light fields Postavaru, Octavian
436-437 C p.
 article
3047 Precise band alignment modulation in MoS2/MoSSe heterojunctions via synergistic effects of spontaneous polarization and intrinsic electric fields Ma, Yicheng
436-437 C p.
 article
3048 Precision of calculated static polarizabilities: Ga, In and Tl atoms Borschevsky, Anastasia
 2012
 436-437 C p. 104-107
4 p.
 article
3049 Predicting glass-to-glass and liquid-to-liquid phase transitions in supercooled water using classical nucleation theory Tournier, Robert F.
 2018
 436-437 C p. 45-53
 article
3050 Predicting glass transition temperatures for OLED organics with random forest algorithm Yu, Xinliang
436-437 C p.
 article
3051 Predicting surface tension and surface composition of multicomponent liquid mixtures. (I) Ternary mixtures of isopropanol, water, and n-decane or n-tetradecane Ma, Wenchao
436-437 C p.
 article
3052 Predicting the structures and properties of few-layer two-dimensional (1 1 0)-oriented BN nanosheets: First-principles calculations Li, Jia
436-437 C p.
 article
3053 Predicting the vapor–liquid equilibrium of hydrocarbon binary mixtures and polymer solutions using predetermined pure component parameters Ryu , Sang Kyu
 2012
 436-437 C p. 171-177
7 p.
 article
3054 Prediction and optimization of bulk metallic glass-forming compositions in Zr-Ni-Cu-Al system by thermodynamic modeling Maiorova, A.V.
436-437 C p.
 article
3055 Prediction of efficient promoter molecules of sH hydrogen hydrate: An ab initio study Liu, Jinxiang
436-437 C p. 15-21
 article
3056 Prediction of electronically nonadiabatic decomposition mechanisms of isolated gas phase nitrogen-rich energetic salt: Guanidium-triazolate Ghosh, Jayanta
 2016
 436-437 C p. 26-39
14 p.
 article
3057 Prediction of fluid phase equilibria and interfacial tension of triangle-well fluids using transition matrix Monte Carlo Sengupta, Angan
 2016
 436-437 C p. 16-24
9 p.
 article
3058 Prediction of nodal-line semimetals in 2D ScX (X = P, As) with high stability and considerable fermi velocities Ding, Li-Juan
436-437 C p.
 article
3059 Prediction of thermodynamically reversible hydrogen storage reactions in the KBH4/M(M=Li, Na, Ca)(BH4) n (n =1,2) system from first-principles calculation Guo, Yajuan
 2013
 436-437 C p. 22-27
6 p.
 article
3060 Prediction of thermodynamic instabilities of protein solutions from simple protein–protein interactions D’Agostino, Tommaso
 2013
 436-437 C p. 50-55
6 p.
 article
3061 Predictive methods of some optoelectronic properties for blends based on quaternized polysulfones Dobos, Adina Maria
 2017
 436-437 C p. 1-6
 article
3062 Preface Henriksen, Niels Engholm
 2014
 436-437 C p. 1-
1 p.
 article
3063 Preface 2019
 436-437 C p. 131-133
 article
3064 Preferential domain orientation of HMGB2 determined by the weak intramolecular interactions mediated by the interdomain linker Uewaki, Jun-ichi
 2013
 436-437 C p. 212-223
12 p.
 article
3065 Preferential solvation and dynamics of Li+ in aqueous ammonia solution: An ONIOM-XS MD simulation study Kabbalee, Pilailuk
 2015
 436-437 C p. 70-75
 article
3066 Preparation and application of expanded and exfoliated vermiculite: A critical review Li, Mingliang
436-437 C p.
 article
3067 Preparation and characterization of bio resin natural tannin/poly (vinylidene fluoride): A high dielectric performance nano-composite for electrical storage Abdalla, S.
 2017
 436-437 C p. 61-71
 article
3068 Preparation and characterization of flowerlike Al-doped Ni(OH)2 for supercapacitor applications Ge, Wei
 2019
 436-437 C p. 55-60
 article
3069 Preparation and characterization of tin sulfide films with or without sodium chloride Bronusiene, A.
436-437 C p.
 article
3070 Preparation and characterization of Zr-containing silica residue purification loaded nano-TiO2 composite photocatalysts Chen, Wanting
436-437 C p.
 article
3071 Preparation and properties of TiO2/illite composites synthesized at different hydrothermal pH values Dong, Zhiqiang
 2019
 436-437 C p.
 article
3072 Preparation of core–shell structured Cu2O@NH2-MIL-125(Ti) MOF and efficient photocatalytic degradation of methylene blue Sakeerali, C K
436-437 C p.
 article
3073 Preparation of electrochemical supercapacitor based on fluffy sphere-like NiCoCu-carbonate hydroxide Yu, Li
436-437 C p.
 article
3074 Preparation of highly hydrophilic cesium ion sieve and its performance in adsorbing Cs+ Yang, Xue
436-437 C p.
 article
3075 Preparation of novel Bi4O5I2/Ag3PO4 with enhanced visible-light photocatalytic activities Liu, Shusong
436-437 C p.
 article
3076 Preparation of perovskite microfibers by lead bromide self-assembly in aqueous solution assisted methylamine bromide vapor deposition Xu, Wei-Long
 2019
 436-437 C p.
 article
3077 Preparation of rice husk-derived porous hard carbon: A self-template method for biomass anode material used for high-performance lithium-ion battery Hou, Jiazi
436-437 C p.
 article
3078 Preparation of the layered structure Ag@Co3O4 composites as peroxidase memetic for colorimetric detection of ascorbic acid Lian, Qi
436-437 C p.
 article
3079 Preparation of Z-scheme Ag/AgBr/BiOBr composite photocatalyst for effective removal of organic pollutants Deng, Jianmin
436-437 C p.
 article
3080 Preparation, surface acidity and catalytic performance of Beta/ZSM-5 composite molecular sieve Fan, Xiaojuan
436-437 C p.
 article
3081 Pressure-controlled enhancement of key physical properties for improved optoelectronic performance in MPbI3 (M = K, Tl) perovskites Rony, Jahid Kabir
436-437 C p.
 article
3082 Pressure effect on the band structure and topological properties of the electron density of pyrene: First-principles calculations Fedorov, Igor A.
 2019
 436-437 C p. 8-14
 article
3083 Pressure-induced structural phase transitions and metallization in cuprous oxide under different hydrostatic environments up to 25.3 GPa Li, Chuang
436-437 C p.
 article
3084 Pressure-induce structural changes of 1,1-diamino-2-nitro-2-(1-amino-1H-tetrazol-5-yl) ethene: An insensitive FOX-7-like energetic materials Wang, Wenpeng
436-437 C p.
 article
3085 Primary structural response in tryptophan residues of Anabaena sensory rhodopsin to photochromic reactions of the retinal chromophore Inada, Seisuke
 2013
 436-437 C p. 65-73
9 p.
 article
3086 Probabilistic analysis on the oxidative kinetic process of quinazoline in supercritical water Xu, Jin
436-437 C p.
 article
3087 Probing adsorption sites of carbon dioxide in metal organic framework of [Zn(bdc)(dpds)]n: A molecular simulation study Lu, Shih-I
 2017
 436-437 C p. 1-9
9 p.
 article
3088 Probing C-H⋯N interaction in acetylene-benzonitrile complex using matrix isolation infrared spectroscopy and DFT computations Gopi, R.
 2017
 436-437 C p. 67-74
 article
3089 Probing coupled motions of peptides in solution with fluorescence anisotropy and molecular dynamics simulation Jas, Gouri S.
436-437 C p.
 article
3090 Probing electron dynamics in the double photoionization process of two-valence electron systems with extreme UV and soft X-ray free-electron laser pulses Barmaki, Samira
 2019
 436-437 C p. 24-29
 article
3091 Probing fragmentation mechanisms of deprotonated isomaltotriose: Charge-remote or charge-directed? Overton, Sean M.
436-437 C p.
 article
3092 Probing microcluster formation between PACO and solvents containing oxygen donor sites mediated by the ‘N–H’ Bond Misra, Ramprasad
 2012
 436-437 C p. 96-104
9 p.
 article
3093 Probing of different conformations of piperazine using Raman spectroscopy SenGupta, Sumana
 2014
 436-437 C p. 55-62
8 p.
 article
3094 Probing pH difference between micellar solution and nanoscale water within common black film by fluorescent dye Fu, Jingni
 2018
 436-437 C p. 1-7
 article
3095 Probing polaron excitation spectra in organic semiconductors by photoinduced-absorption-detected two-dimensional coherent spectroscopy Li, Hao
 2016
 436-437 C p. 281-286
6 p.
 article
3096 Probing the biomolecular interactions of oxidized Ti3C2Tx nanosheets: How surface chemistry influences serum protein binding Feng, Yang
436-437 C p.
 article
3097 Probing the equilibrium between mono- and di-nuclear nickel(II)-diamidate {[NiII(DQPD)]x, x = 1,2} complexes in chloroform solutions by combining acoustic and vibrational spectroscopies and molecular orbital calculations Siafarika, P.
436-437 C p.
 article
3098 Probing the influence of alkyl chain length on the aggregation behaviour of some naphthalene sulphonamide derivatives through spectroscopic and microscopic studies Banerjee, Somnath
436-437 C p.
 article
3099 Probing the mechanical properties of ORF3a protein, a transmembrane channel of SARS-CoV-2 virus: Molecular dynamics study Maymand, Vahid Mahmoudi
436-437 C p.
 article
3100 Probing the structural and electronic properties of anionic europium-doped silicon clusters by density functional theory and comparison of experimental photoelectron spectroscopy Fan, Yi-Wei
436-437 C p.
 article
3101 Probing the structures and electronic properties of dual-phosphorus-doped gold cluster anions ( Au n P 2 - , n =1–8): A density functional theory investigation Xu, Kang-Ming
 2015
 436-437 C p. 13-21
9 p.
 article
3102 Probing ultrafast vibrational dynamics of intramolecular hydrogen bonds with broadband infrared pump-probe spectroscopy Balasubramanian, Madhumitha
 2019
 436-437 C p. 38-44
 article
3103 Probing vibrational dynamics of PM650 with two-dimensional electronic spectroscopy Fransted , Kelly A.
 2012
 436-437 C p. 59-67
9 p.
 article
3104 Product channels in the 193-nm photodissociation of HCNO (fulminic acid) Feng, Wenhui
 2016
 436-437 C p. 18-23
6 p.
 article
3105 Product channels of the reactions of O2(b 1 Σ g + ) Khvatov, N.A.
 2019
 436-437 C p. 85-91
 article
3106 Product of position and momentum Fisher information measures under homogeneous potentials Mohajeri, Afshan
 2012
 436-437 C p. 186-188
3 p.
 article
3107 Product rotational angular momentum polarization in the N+NH (v =0, j =0,3,6,9)→N2 +H reaction Zhao, Meiyu
 2012
 436-437 C p. 57-61
5 p.
 article
3108 Profiling the overdamped dynamics of a nonadiabatic system Sarkar, Prasun
 2015
 436-437 C p. 86-91
6 p.
 article
3109 Promising optoelectronic response of 2D monolayer MoS2: A first principles study Rai, D.P.
436-437 C p.
 article
3110 Promising photovoltaic, optoelectronic and p-type thermoelectric Sr4Pn2O (Pn = Sb, Bi) compounds: A first principles study Batouche, M.
436-437 C p.
 article
3111 Promotional effect of Sr modification on the catalytic oxidation of hydrogen chloride to chlorine over Cu/Y zeolite catalyst Sun, Xiaoyan
436-437 C p.
 article
3112 Propensities in the solvation of M+–Benzene systems (M =Na, K, Rb) investigated by cluster dynamics Albertí, M.
 2012
 436-437 C p. 290-295
6 p.
 article
3113 Properties of aqueous solutions of nonionic surfactants, Triton X-114 and Tween 80, at temperatures from 293 to 318K: Spectroscopic and ultrasonic studies Szymczyk, Katarzyna
 2017
 436-437 C p. 96-102
7 p.
 article
3114 Properties of equilibrium carbon dioxide hydrate in porous medium Voronov, V.P.
 2016
 436-437 C p. 61-68
8 p.
 article
3115 Properties of processes associated with the glass transition of water are isomorphic to those of other glass-formers Ngai, K.L.
436-437 C p.
 article
3116 Properties of the molecular oxygen trimer from pairwise additive interactions Hernández-Lamoneda, Ramón
 2012
 436-437 C p. 80-85
6 p.
 article
3117 Proposing a plausible molecular structure for Ice XI: A coupled study using Rietveld refinement and Density Functional Theory Biggs, Christina M.B.
436-437 C p.
 article
3118 Protein dynamics by neutron scattering: The protein dynamical transition and the fragile-to-strong dynamical crossover in hydrated lysozyme Magazù, Salvatore
 2013
 436-437 C p. 26-31
6 p.
 article
3119 Protein functional dynamics: From femtoseconds to milliseconds Meuwly, Markus
 2012
 436-437 C p. 1-2
2 p.
 article
3120 Proton affinity of the histidine-tryptophan cluster motif from the influenza A virus from ab initio molecular dynamics Bankura, Arindam
 2013
 436-437 C p. 156-164
9 p.
 article
3121 Protonated salicylaldehyde: Electronic properties Alata, Ivan
 2012
 436-437 C p. 224-231
8 p.
 article
3122 Protonation–deprotonation of the glycine backbone as followed by Raman scattering and multiconformational analysis Hernández, Belén
 2013
 436-437 C p. 104-113
10 p.
 article
3123 Protonation/deprotonation process of Emodin in aqueous solution and pKa determination: UV/Visible spectrophotometric titration and quantum/molecular mechanics calculations da Cunha, Antonio R.
 2014
 436-437 C p. 69-79
11 p.
 article
3124 Protonation of caffeine: A theoretical and experimental study Bahrami, Hamed
 2013
 436-437 C p. 222-227
6 p.
 article
3125 Proton dynamics in the hydrogen bonds of 4-amino-3,5-dihalogenobenzoic acid Asaji, Tetsuo
 2015
 436-437 C p. 32-36
5 p.
 article
3126 Proton exchange in acid–base complexes induced by reaction coordinates with heavy atom motions Alavi , Saman
 2012
 436-437 C p. 105-112
8 p.
 article
3127 Proton location in (CH3)3N-H+-(CH3OH) n : A theoretical and infrared spectroscopic study Bing, Dan
 2013
 436-437 C p. 1-9
9 p.
 article
3128 Proton transfer and complex formation of angiotensin I ions with gaseous molecules at various temperature Nonose, Shinji
 2013
 436-437 C p. 182-191
10 p.
 article
3129 Proton transfer from water to ketyl radical anion: Assessment of critical size of hydrated cluster and free energy barrier in solution from first principles simulations Biswas, Sohag
 2016
 436-437 C p. 46-51
6 p.
 article
3130 Proton transfer reactions in carbon nanotubes endohedrally functionalized with selected polar amino acid sidechains Abi, T.G.
 2012
 436-437 C p. 107-116
10 p.
 article
3131 Prototropic tautomerism of 4-Methyl 1,2,4-Triazole-3-Thione molecule in solvent water medium: DFT and Car–Parrinello molecular dynamics study Dutta, Bipan
 2015
 436-437 C p. 30-37
8 p.
 article
3132 Prototype of cell for quantum cellular automata: Multimode vibronic model for a two-electron mixed valence molecular square Palii, Andrew
436-437 C p.
 article
3133 Pruned bases that are compatible with iterative eigensolvers and general potentials: New results for CH3CN Avila, Gustavo
 2017
 436-437 C p. 3-8
 article
3134 Pseudo 5D HN(C)N experiment to facilitate the assignment of backbone resonances in proteins exhibiting high backbone shift degeneracy Kumar, Dinesh
 2014
 436-437 C p. 144-151
8 p.
 article
3135 Pseudo Jahn–Teller distortion for a tricyclic carbon sulfide (C6S8) and its suppression in S-oxygenated dithiine (C4H4(SO2)2) Pratik, Saied Md.
 2015
 436-437 C p. 101-105
5 p.
 article
3136 Pseudo Jahn–Teller effect in distortion and restoration of planar configurations of tetra-heterocyclic 1,2-diazetes C2N2E4, E=H, F, Cl, Br Ilkhani, Ali R.
 2015
 436-437 C p. 106-110
5 p.
 article
3137 Pseudo Jahn–Teller effect in stacked benzene molecules Boltrushko, Vadim
 2015
 436-437 C p. 90-96
7 p.
 article
3138 Pseudo Jahn–Teller effect in the decasilanaphthalene molecule: Towards the origin of the buckling in silicene Molina, B.
 2015
 436-437 C p. 97-100
4 p.
 article
3139 Pseudo Jahn-Teller origin of instability of planar configurations of hexa-heterocycles. Application to compounds with 1,2- and 1,4-C4X2 skeletons (X=O, S, Se, Te) Ilkhani, Ali R.
 2015
 436-437 C p. 75-82
8 p.
 article
3140 Pseudo Jahn–Teller origin of puckering in C 4 H 4 2 + , Si 4 H 4 2 + , and C 4 F 4 2 + dications Liu, Yang
 2013
 436-437 C p. 26-29
4 p.
 article
3141 P-substitution effects on the electronic structure and thermal properties of the half-metallic half-Heusler NaCrBi compound Hoat, D.M.
436-437 C p.
 article
3142 PtS2/WSe2 heterostructure for thermoelectric and Li-ion battery Applications: A First-Principles study Lin, Shiru
436-437 C p.
 article
3143 Publisher’s Note 2012
 436-437 C p. iii-
1 p.
 article
3144 Publisher’s note 2013
 436-437 C p. 185-
1 p.
 article
3145 Publishers Note 2019
 436-437 C p.
 article
3146 Pulsed-cavity ring down spectroscopic study of NO2 in 501–506 nm spectral region Pal, Ayan Kumar
436-437 C p.
 article
3147 Pulsed laser induced dewetting of Au thin films on Ta2O5 substrates Horwood, Corie A.
436-437 C p.
 article
3148 Pulsed laser processing of poly(3,3‴-didodecyl quarter thiophene) semiconductor for organic thin film transistors Constantinescu, C.
436-437 C p. 32-38
 article
3149 Pulse-shape effects in fifth-order multidimensional optical spectroscopy Do, Thanh Nhut
 2018
 436-437 C p. 119-128
 article
3150 Pump–probe microscopy: Visualization and spectroscopy of ultrafast dynamics at the nanoscale Grumstrup, Erik M.
 2015
 436-437 C p. 30-40
11 p.
 article
3151 Pure-vibrational spectrum of diatomic molecules using an improved Pöschl–Teller potential Onate, C.A.
436-437 C p.
 article
3152 Purification of distinct nano shapes from a mixtures of rods and spheres Ahmad, Imtiaz
436-437 C p.
 article
3153 PVA –Bismuth zirconium oxide nanocomposites using BSA protein: Properties and their applications to WLEDs, anti-counterfeiting and forensic fields Kalaburgi, Bhimanagouda
436-437 C p.
 article
3154 PVT relation of the main products of 1,3,5-triamino-2,4,6-trinitrobenzene explosive reactions through a molecular dynamics approach Huo, Xiangyu
436-437 C p.
 article
3155 QM:QM studies on the mechanisms of interaction of alkenes with zeolitic Brønsted sites in H-FER Yan, Zhengwei
436-437 C p.
 article
3156 Quantifying intermolecular interactions between 1‑Hexyl-3-methylimidazolium Nitrate and 1-alkanol: Internal pressure and cohesive energy density approach Almasi, Mohammad
436-437 C p.
 article
3157 Quantifying phase separation and interfacial area in organic photovoltaic bulk heterojunction processed with solvent additives Xu, Wei-Long
 2015
 436-437 C p. 7-12
6 p.
 article
3158 Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy Källman, Erik
436-437 C p.
 article
3159 Quantitative analysis of diamond deposition reactor efficiency Gicquel, A.
 2012
 436-437 C p. 239-247
9 p.
 article
3160 Quantitative analysis of end-to-end distance of single polymer chain in ultra-thin film by super-resolution fluorescence imaging Aoki, Hiroyuki
 2013
 436-437 C p. 54-58
5 p.
 article
3161 Quantitative and sensitive mapping of imidacloprid on plants using multiphoton electron extraction spectroscopy Kruve, Anneli
 2018
 436-437 C p. 126-131
 article
3162 Quantitative characterization of light-harvesting efficiency in single molecules and nanoparticles by 2D polarization microscopy: Experimental and theoretical challenges Camacho, R.
 2012
 436-437 C p. 30-40
11 p.
 article
3163 Quantitative fluctuation-enhanced sensing in amperometric NO2 sensors Kuberský, P.
 2015
 436-437 C p. 111-117
7 p.
 article
3164 Quantitative theory for the lateral momentum distribution after strong-field ionization Dreissigacker, Ingo
 2013
 436-437 C p. 69-72
4 p.
 article
3165 Quantum calculations for the abstraction and exchange channels of the H + SH+(v 0 = 0, j 0 = 0) reaction Li, Wentao
436-437 C p.
 article
3166 Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach Tasinato, Nicola
 2012
 436-437 C p. 55-64
10 p.
 article
3167 Quantum chemical calculations of the one-electron oxidation potential of nitroxide spin labels in biologically active compounds Krapivin, Vladimir B.
 2019
 436-437 C p. 214-219
 article
3168 Quantum chemical investigation of choline chloride-based deep eutectic solvents Naseem, Zubera
436-437 C p.
 article
3169 Quantum chemical modeling of the structure and stability of hydrated and sulfated stannic acid complexes Zyubina, T.S.
436-437 C p.
 article
3170 Quantum chemical studies of photochromic properties of benzoxazine compound Toliautas, Stepas
 2012
 436-437 C p. 64-73
10 p.
 article
3171 Quantum chemical study of small Al n B m clusters: Structure and physical properties Loukhovitski, Boris I.
 2017
 436-437 C p. 61-76
16 p.
 article
3172 Quantum chemical study of the electronic properties of an Iridium-based photosensitizer bound to medium-sized silver clusters Bokareva, Olga S.
 2015
 436-437 C p. 1-6
6 p.
 article
3173 Quantum chemical study of the reactions of Al, AlO and AlOH with H2O2 Sharipov, Alexander S.
 2016
 436-437 C p. 9-16
8 p.
 article
3174 Quantum chemistry and dynamics of the abstraction reaction of H atoms from formaldehyde Siaï, A.
 2016
 436-437 C p. 44-51
8 p.
 article
3175 Quantum chemistry and nuclear dynamics as diagnostic tools for stellar atmosphere modeling Guitou, M.
 2015
 436-437 C p. 94-103
10 p.
 article
3176 Quantum chemistry calculations using energy derivatives on quantum computers Azad, Utkarsh
436-437 C p.
 article
3177 Quantum close coupling calculation of transport and relaxation properties for Hg-H2 system Nemati-Kande, Ebrahim
 2016
 436-437 C p. 99-108
10 p.
 article
3178 Quantum computational investigation of structural, energetic, and optical properties of quantum dots derived from 2D germagraphene Chataoui, Hassan
436-437 C p.
 article
3179 Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene Jia, Dongming
 2017
 436-437 C p. 146-159
 article
3180 Quantum Dynamics and Femtosecond Spectroscopy (in honor of Professor Vladimir Y. Chernyak on the occasion of his 60th birthday) Gelin, Maxim
 2016
 436-437 C p. 1-2
2 p.
 article
3181 Quantum dynamics modeled by interacting trajectories Cruz-Rodríguez, L.
 2018
 436-437 C p. 39-49
 article
3182 Quantum dynamics of multi-dimensional rhodopsin photoisomerization models: Approximate versus accurate treatment of the secondary modes Sala, Matthieu
 2018
 436-437 C p. 164-176
 article
3183 Quantum equivalence of a driven triple-well Van der Pol oscillator: A QTM study Chakraborty, Debdutta
 2014
 436-437 C p. 7-15
9 p.
 article
3184 Quantum fluctuation and vibrational dynamics of aqueous Cu+ and Ag+ clusters Koizumi, Akihito
 2013
 436-437 C p. 44-49
6 p.
 article
3185 Quantum interference effects in graphene based side-coupled quantum ring: A non-equilibrium Green’s function approach Seyfizadeh, Parisa
436-437 C p.
 article
3186 Quantum localization/delocalization of muonium in the glycine–K+ complex Yoshikawa, Takehiro
 2014
 436-437 C p. 135-141
7 p.
 article
3187 Quantum mechanical and quasiclassical Born–Oppenheimer dynamics of the reaction N2 X 1 Σ g + + O 3 P → N ( 4 S ) + NO X 2 Π on the N2O a ∼ 3 A ″ and b ∼ 3 A ′ surfaces Akpinar, Sinan
 2012
 436-437 C p. 81-89
9 p.
 article
3188 Quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity Wang, De-hua
436-437 C p.
 article
3189 Quantum mechanical investigations on the role of neutral and negatively charged enamine intermediates in organocatalyzed reactions Hubin, Pierre O.
 2014
 436-437 C p. 30-36
7 p.
 article
3190 Quantum optimal control of the isotope-selective rovibrational excitation of diatomic molecules Kurosaki, Yuzuru
 2017
 436-437 C p. 183-193
11 p.
 article
3191 Quantum path control on the harmonic emission in the presence of a terahertz field Feng, Liqiang
 2012
 436-437 C p. 26-31
6 p.
 article
3192 Quantum reactive scattering study of the S(3 P)+NH(X3Σ)→NS(X2Π)+H(2 S)/SH(X2Π)+N(4 S) reaction on the lowest three (1A′, 1A″, and 3A″) potential energy surfaces: Contribution of HNS/HSN isomerization and spin-forbidden process Sato, Kazuma
436-437 C p. 74-82
 article
3193 Quantum real wave packet method by using spectral difference for a triatomic reactive scattering Li, Xueming
436-437 C p. 20-29
 article
3194 Quantum simulation of small molecules for multiple applications Kesari, Amit S.
436-437 C p.
 article
3195 Quantum state-resolved energy redistribution of highly vibrationally excited CsH(D) by collisions with H 2 ( D 2 ) Alghazi, Abai
 2015
 436-437 C p. 76-90
 article
3196 Quantum studies of methane-metal inelastic diffraction and trapping: The variation with molecular orientation and phonon coupling Jackson, Bret
436-437 C p.
 article
3197 Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces Tokizaki, Chihiro
 2016
 436-437 C p. 97-104
8 p.
 article
3198 Quantum transport behavior of Ni-based dinuclear complexes in presence of zigzag graphene nanoribbon as electrode Sarkar, Sunandan
 2016
 436-437 C p. 173-177
5 p.
 article
3199 Quantum wavepacket dynamics of the N( 4 S )+NO( X 2 Π ) reaction and its isotopic variants: Integral cross sections and thermal rate constants Manivannan, V.
 2016
 436-437 C p. 83-89
7 p.
 article
3200 Quantum work distribution for a driven diatomic molecule Leonard, Alison
 2015
 436-437 C p. 18-23
 article
3201 Quantum yield, energy transfer, and x-ray induced study of Sm3+ ions doped oxide glasses for intense orange-red photo-emitting optoelectronic device applications Rajaramakrishna, R.
436-437 C p.
 article
3202 Quartic scaling analytical gradients of scaled opposite-spin CC2 Winter, Nina O.C.
 2012
 436-437 C p. 217-227
11 p.
 article
3203 Quasi-classical nonadiabatic transition probability for G 3/2 ×(t 2 + e) Jahn–Teller systems Poluyanov, Leonid V.
 2015
 436-437 C p. 1-4
4 p.
 article
3204 Quasiparticle and exciton renormalization effects in electrostatically doped semiconducting carbon nanotubes Spataru, Catalin D.
 2013
 436-437 C p. 81-88
8 p.
 article
3205 Quasirelativistic potential energy curves and transition dipole moments of NaRb Wiatr, M.
 2018
 436-437 C p. 80-87
 article
3206 Quaternary and secondary structural imaging of a human hair by a VSFG-detected IR super-resolution microscope Sakai, Makoto
 2013
 436-437 C p. 261-265
5 p.
 article
3207 Quaternary Cu2HgGeSe4 selenide: Its electronic and optical properties as elucidated from TB-mBJ band-structure calculations and XPS and XES measurements Gabrelian, B.V.
436-437 C p.
 article
3208 Quenching induced enhancement of coupling between the molecule reorientation and grain boundary relaxation in polycrystalline C60 Wu, Guangcheng
436-437 C p.
 article
3209 Quenching of tryptophan fluorescence by colloidal Cu2S nanoparticles through static and dynamic modes under different solution pH Saha, Dipika
436-437 C p.
 article
3210 Radiative association of He(23P) with lithium cations Augustovičová, Lucie
 2015
 436-437 C p. 65-70
6 p.
 article
3211 Radiative decay of HeLi+(b 3 ∑ + ) Zámečníková, Martina
 2018
 436-437 C p. 1-6
 article
3212 Radiative lifetimes of the doublet states of 107 Ag 16 O: A configuration interaction study da Silva, Ramon S.
436-437 C p.
 article
3213 Radical cation spectroscopy of substituted alkyl phenyl ketones via tunnel ionization Bohinski, Timothy
 2014
 436-437 C p. 81-85
5 p.
 article
3214 Raman and 2D electronic spectroscopies: A fruitful alliance for the investigation of ground and excited state vibrations in chlorophyll a Meneghin, Elena
 2018
 436-437 C p. 132-140
 article
3215 Raman and density functional theory studies of solvation structure and ion association of NaClO4 in 1,2-propanediamine Terashima, Yukio
 2014
 436-437 C p. 23-28
6 p.
 article
3216 Raman and optical spectroscopy study of iron-bearing bio-relevant phosphate glasses: Assessment of γ-ray irradiation effects Jiménez, José A.
436-437 C p.
 article
3217 Raman investigations and ab initio calculations of natural diamond-lonsdaleite originating from New Caledonia El Mendili, Yassine
436-437 C p.
 article
3218 Raman scattering of a donor impurity in a quantum ring Xie, Wenfang
 2012
 436-437 C p. 22-25
4 p.
 article
3219 Raman scattering signatures of the unusual vibronic interaction of molecules in liquid helium-3 Tehver, I.
 2015
 436-437 C p. 111-116
6 p.
 article
3220 Raman spectroelectrochemical study on the effect of solvent processing on the active layer morphology of polymer solar cells Hu, Rong
436-437 C p.
 article
3221 Raman spectroscopy of active-carbon electrodes when Au colloids are placed at the electrolyte/electrode interface Grebel, H.
436-437 C p.
 article
3222 Range effects of the Coulombic forces on structures, thermodynamic properties and potential energy landscapes: (KCl)32 and related systems Wang, Chengju
 2012
 436-437 C p. 281-289
9 p.
 article
3223 Range-separated density functional theory: A 4-component relativistic study of the rare gas dimers He2, Ne2, Ar2, Kr2, Xe2, Rn2 and Uuo2 Kullie, Ossama
 2012
 436-437 C p. 54-62
9 p.
 article
3224 Rapid and sensitive detection of synthetic cannabinoids AMB-FUBINACA and α-PVP using surface enhanced Raman scattering (SERS) Islam, Syed K.
436-437 C p. 31-35
 article
3225 Rapid microwave-assisted synthesis of PVP-coated ultrasmall gadolinium oxide nanoparticles for magnetic resonance imaging Vahdatkhah, Parisa
 2015
 436-437 C p. 35-41
7 p.
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3226 Rare Ag nanoparticles loading induced surface-enhanced pollutant adsorption and photocatalytic degradation on Ti3C2Tx MXene-based nanosheets Lv, Ying
436-437 C p.
 article
3227 Rare-class learning over Mg-doped ZnO nanoparticles Kurban, Hasan
436-437 C p.
 article
3228 Rare-earth-free blue-emitting of Te4+ doped YAl3(BO3)4 phosphors Yao, Aihua
436-437 C p.
 article
3229 Rate coefficients for electron impact excitation of CO Vojnović, M.
 2013
 436-437 C p. 1-8
8 p.
 article
3230 Rate coefficients for electron impact excitation of N2 Vojnović, M.
 2015
 436-437 C p. 38-46
9 p.
 article
3231 Rate coefficients for electron impact excitation of the a 3 Π state of CO Ristić , M.M.
 2012
 436-437 C p. 16-21
6 p.
 article
3232 Rate constants and molecular recombination pathways of oxygen from quasi-classical trajectory simulations of the O 3 system Kondur, Chaithanya
436-437 C p.
 article
3233 Ratio dependent of the reaction products of core–shell Al@SiO2 nanothermite Zhang, Jinping
436-437 C p.
 article
3234 Rationalizing long-lived photo-excited carriers in photocatalyst (La5Ti2CuS5O7) in terms of one-dimensional carrier transport Suzuki, Yohichi
 2016
 436-437 C p. 9-16
8 p.
 article
3235 γ-Ray radiolysis and theoretical study on radical ions of star-shaped oligofluorenes having a truxene or isotruxene as a core Fujitsuka, Mamoru
 2013
 436-437 C p. 118-123
6 p.
 article
3236 RbNbX₃ (X = cl, Br, I) lead-free halide perovskites: A DFT study of structural, elastic, electronic, and thermoelectric properties for energy applications Farah, Blaha Lamia
436-437 C p.
 article
3237 Reaction barrier heights for cycloreversion of heterocyclic rings: An Achilles’ heel for DFT and standard ab initio procedures Yu, Li-Juan
 2015
 436-437 C p. 1-8
8 p.
 article
3238 Reaction-diffusion of double exothermic couple stress fluid and thermal criticality with Reynold’s viscosity and optical radiation Salawu, S.O.
436-437 C p.
 article
3239 Reaction mechanism and kinetics of the degradation of terbacil initiated by OH radical – A theoretical study Ponnusamy, S.
 2018
 436-437 C p. 110-120
 article
3240 Reaction mechanism of methanol on 4H-SiC substrate surface: a density functional theory study Zhang, Jiayu
436-437 C p.
 article
3241 Reaction mechanism, rate constants, and product yields for the oxidation of embedded five-member ring radicals with atomic oxygen Galimova, G.R.
 2019
 436-437 C p. 101-109
 article
3242 Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories Shiroudi, Abolfazl
 2017
 436-437 C p. 140-148
 article
3243 Reaction of associative ionization N + O → NO + + e - at slow collisions of atoms Golubkov, Maxim G.
 2015
 436-437 C p. 28-34
7 p.
 article
3244 Reaction pathways for palladium(I) reduction in laser-induced particle formation of Pd: An ab initio molecular orbital study Kurosaki, Yuzuru
436-437 C p.
 article
3245 Reactions of OH and OD radicals with ethanethiol and diethylsulfide: Branching ratio and vibrational energy disposal for the product water molecules Butkovskaya, Nadezhda I.
436-437 C p.
 article
3246 Reactive force field for electrophilic substitution at an aromatic system in twin polymerization Schönfelder, Thomas
 2014
 436-437 C p. 119-126
8 p.
 article
3247 Reactive molecular dynamics simulations of multicomponent models for RP-3 jet fuel in combustion at supercritical conditions: A comprehensive mechanism study Yu, Yin
436-437 C p.
 article
3248 Reactivity of diamanes against oxidation: A DFT study Kaya, Savaş
436-437 C p.
 article
3249 Reading fitness landscape diagrams through HSAB concepts Vigneresse, Jean-Louis
 2014
 436-437 C p. 87-92
6 p.
 article
3250 Real-time observation of interfragment vibration and charge transfer within the TCNQF4 dimer Hashimoto, Sena
 2017
 436-437 C p. 56-60
5 p.
 article
3251 Real-time temperature measurement of living cells exposed to microwaves using a temperature-dependent fluorescent dye Dong, Guofu
436-437 C p.
 article
3252 Real time tracing of valence-shell electronic coherences with attosecond transient absorption spectroscopy Wirth, A.
 2013
 436-437 C p. 149-159
11 p.
 article
3253 Real-time tracking of CO migration and binding in the α and β subunits of human hemoglobin via 150-ps time-resolved Laue crystallography Schotte, Friedrich
 2013
 436-437 C p. 98-106
9 p.
 article
3254 ReaxFF molecular dynamics simulation on the combustion mechanism of toluene/ethanol/n-heptane mixed fuel Xu, Chun-Chen
436-437 C p.
 article
3255 Recent advances on phenoxazine-based hole transporting molecules for perovskite solar cells Dumur, Frédéric
436-437 C p.
 article
3256 Recent attoclock measurements of strong field ionization Pfeiffer, Adrian N.
 2013
 436-437 C p. 84-91
8 p.
 article
3257 Recognition of anions using urea and thiourea substituted calixarenes: A density functional theory study of non-covalent interactions Athar, Mohd
 2018
 436-437 C p. 68-77
 article
3258 Reconstruction of calmodulin single-molecule FRET states, dye interactions, and CaMKII peptide binding by MultiNest and classic maximum entropy DeVore, Matthew S.
 2013
 436-437 C p. 238-245
8 p.
 article
3259 Rectification with controllable directions in sulfur-doped armchair graphene nanoribbon heterojunctions Zhang, Xiang-Hua
436-437 C p.
 article
3260 Recursive formulation of the multiconfigurational time-dependent Hartree method for fermions, bosons and mixtures thereof in terms of one-body density operators Alon, Ofir E.
 2012
 436-437 C p. 2-14
13 p.
 article
3261 Red-light absorption and fluorescence of phytochrome chromophores: A comparative theoretical study Falklöf, Olle
 2013
 436-437 C p. 19-28
10 p.
 article
3262 Redundant coordinates in quantum mechanics Toombs, Eric
 2018
 436-437 C p. 336-341
 article
3263 Reentrant nematic and tricritical behavior of the nematic to smectic-A phase transition in liquid crystal mixture Mukherjee, Prabir K.
 2014
 436-437 C p. 42-46
5 p.
 article
3264 Re-evaluation of the century-old Langmuir isotherm for modeling adsorption phenomena in solution Azizian, Saeid
436-437 C p. 99-104
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3265 Reflections on one dimensional transmission Klaiman, Shachar
 2017
 436-437 C p. 277-285
 article
3266 Regarding expressions of the oscillatory patterns in the 2D spectra of a displaced oscillator model Le, Duc Viet
436-437 C p.
 article
3267 Regular double-helix self-assembled from two poly(p_phenylene) chains under the inducement of metal nanoclusters Zhao, Xiaolin
436-437 C p.
 article
3268 Regulating the excited state behaviors of 2-benzooxazol-2-yl-4,6-di-tert-butyl-phenol fluorophore by solvent polarity: A theoretical simulation Yang, Dapeng
436-437 C p.
 article
3269 Relationship between ion vacancy mobility and hysteresis of perovskite solar cells Lin, Zedong
436-437 C p.
 article
3270 Relationship between the anomalous diffusion and the fractal dimension of the environment Zhokh, Alexey
 2018
 436-437 C p. 71-76
 article
3271 Relativistic and vibrational effects on the electronic structure of isopropyl iodide Zhao, Minfu
436-437 C p.
 article
3272 Relativistic calculations of the ground state energies and the critical distances for one-electron homonuclear quasi-molecules Mironova, D.V.
 2015
 436-437 C p. 10-13
4 p.
 article
3273 Relativistic Cholesky-decomposed density matrix MP2 Helmich-Paris, Benjamin
 2019
 436-437 C p. 38-46
 article
3274 Relativistic Jahn–Teller and pseudo-Jahn–Teller couplings in D 2 d systems Poluyanov, Leonid V.
 2012
 436-437 C p. 1-8
8 p.
 article
3275 Relativistic spinless energies and thermodynamic properties of sodium dimer molecule Ocak, Zehra
436-437 C p. 252-257
 article
3276 Relativistic time-dependent density functional calculations for the excited states of the cadmium dimer Kullie , Ossama
 2013
 436-437 C p. 112-118
7 p.
 article
3277 Relaxation function for the non-Debye relaxation spectra description Lukichev, A.A.
 2014
 436-437 C p. 29-33
5 p.
 article
3278 Relay recognition of Cu2+ and S2− using naphthalimide-based fluorescent probe and its applications in molecular logic gate and bioimaging Chen, An
436-437 C p.
 article
3279 Relevance of water in biological membranes Frias, M.A.
436-437 C p.
 article
3280 Remarkable enhancement of visible light driven photocatalytic performance of TiO2 by simultaneously doping with C, N, and S Le, Thi Thanh Thuy
436-437 C p.
 article
3281 Renormalization of optical transition strengths in semiconductor nanoparticles due to band mixing Velizhanin, Kirill A.
 2016
 436-437 C p. 165-176
12 p.
 article
3282 Replacing salt correction factors with optimized RNA nearest-neighbour enthalpy and entropy parameters Ferreira, Izabela
 2019
 436-437 C p. 69-76
 article
3283 Reply to “Comment on “Re-evaluation of the century-old Langmuir isotherm for modeling adsorption phenomena in solution””, published by Kopinke et al. [Chemical Physics (2018)] Azizian, Saeid
 2019
 436-437 C p. 268-269
 article
3284 Reply to “Comment on “Re-evaluation of the century-old Langmuir isotherm for modeling adsorption phenomena in solution””, published by Salvestrini et al. [Chem. Phys. (2018)] Azizian, Saeid
 2019
 436-437 C p. 272
 article
3285 Representation of the Boltzmann operator via the chain of imaginary time coherent states and its application to calculation of real time correlation functions Kryvohuz , Maksym
 2012
 436-437 C p. 124-133
10 p.
 article
3286 Representative longitudinal optical phonon modes in polar semiconductor quantum dots Cheche, Tiberius O.
 2012
 436-437 C p. 207-212
6 p.
 article
3287 Reprint of “The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex” Schulze, Jan
436-437 C p. 163-169
 article
3288 Research of kinetics and thermodynamics of reaction related to NH3/DME mixed combustion Zhang, Wenhan
436-437 C p.
 article
3289 Research on the optical and EPR spectral data and the local structure for the trigonal Mn4+ centers in MgTiO3 crystal Liao, Bi-Tao
 2017
 436-437 C p. 23-26
4 p.
 article
3290 Resistivity and magnetoresistance behaviors of La0.7Sr0.3MnO3-BiFeO3 matrix-particles composites Boricha, Hetal
436-437 C p.
 article
3291 Resolution along both infrared and visible frequency axes in second-order Fourier-transform vibrational sum-frequency generation spectroscopy Grechko, Maksim
436-437 C p. 27-35
 article
3292 Resolving carrier recombination in CdS quantum dots: A time-resolved fluorescence study Woodall, Danielle L.
 2016
 436-437 C p. 2-10
 article
3293 Resolving the excited state relaxation dynamics of guanosine monomers and hydrogen-bonded homodimers in chloroform solution Ingle, Rebecca A.
 2018
 436-437 C p. 480-492
 article
3294 Resonance energy transfer between polar charge-transfer dyes: A focus on the limits of the dipolar approximation Sissa, C.
 2012
 436-437 C p. 9-15
7 p.
 article
3295 Resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) study of phosphorous oxychloride (POCl3) dissociation at 235nm: Dynamics of Cl(2Pj) formation Saha, Ankur
 2012
 436-437 C p. 83-91
9 p.
 article
3296 Resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) study of tetrachloroethylene photodissociation at 235nm: Role of bound π - σ C - Cl ∗ state Saha, Ankur
 2014
 436-437 C p. 127-136
10 p.
 article
3297 Resonance Raman enhancement of pyridine on Ag clusters Gaff, John
 2012
 436-437 C p. 34-41
8 p.
 article
3298 Resonance Raman spectra of wurtzite and zincblende CdSe nanocrystals Kelley, Anne Myers
 2013
 436-437 C p. 272-276
5 p.
 article
3299 Resonance Raman study on indoleamine 2,3-dioxygenase: Control of reactivity by substrate-binding Yanagisawa, Sachiko
 2013
 436-437 C p. 178-183
6 p.
 article
3300 Resonant energy transfer between highly vibrationally excited RbH(RbD) and H2(D2) Liu, Jing
 2013
 436-437 C p. 62-72
11 p.
 article
3301 Resonant heating of Fe3O4 and hemozoin nanoparticles dispersed in D2O by RF excitation of transitions between Zeeman components Khmelinskii, I.V.
436-437 C p. 1-9
 article
3302 Resonant photoelectron imaging of deprotonated uracil anion via vibrational levels of a dipole-bound excited state Huang, Dao-Ling
 2017
 436-437 C p. 374-383
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3303 Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of p-vinylaniline Tzeng , Sheng Yuan
 2012
 436-437 C p. 71-75
5 p.
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3304 Response surface optimisation on Non-Uniform shapes ternary hybrid nanofluid flow in stenosis artery with motile gyrotactic microorganisms kumar, Maddina Dinesh
436-437 C p.
 article
3305 Restructuring of polyelectrolyte thin films in the presence of nonsolvent Talukdar, Hrishikesh
 2018
 436-437 C p. 57-65
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3306 RETRACTED: Silver nanoparticle decorated halloysite nanotube for efficient antibacterial application Song, Shaokun
 2019
 436-437 C p. 51-54
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3307 RETRACTED: “Theoretical study of electronic properties and isotope effects in the UV absorption spectrum of disulfur” Sarka, Karolis
 2018
 436-437 C p. 61
 article
3308 RETRACTED: Theoretical study of electronic properties and isotope effects in the UV absorption spectrum of disulfur Sarka, Karolis
 2017
 436-437 C p. 36-42
 article
3309 Retraction notice to “Silver nanoparticle decorated halloysite nanotube for efficient antibacterial application” [CHEMPHYS 521 (2019) 51–54] Song, Shaokun
436-437 C p.
 article
3310 Revealing the interfacial and interior effects on transport behaviors of fluids through ultra-thin covalent organic framework nanosheets Song, Yang
436-437 C p.
 article
3311 Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity Nasif, Vesim
436-437 C p.
 article
3312 Revealing vibronic coupling in chlorophyll c1 by polarization-controlled 2D electronic spectroscopy Bukartė, Eglė
436-437 C p.
 article
3313 Reverse micelles as a tool for probing solvent modulation of protein dynamics: Reverse micelle encapsulated hemoglobin Roche, Camille J.
 2013
 436-437 C p. 88-97
10 p.
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3314 Reversible hydrogen adsorption on Co/N4 cluster embedded in graphene: The role of charge manipulation Omidvar, Akbar
 2017
 436-437 C p. 85-90
6 p.
 article
3315 Reversible switching in self-assembled monolayers of azobenzene thiolates on Au (111) probed by threshold photoemission Heinemann, Nils
 2012
 436-437 C p. 22-28
7 p.
 article
3316 Revisiting OD-stretching dynamics of methanol‑d 4, ethanol-d6 and dilute HOD/H2O mixture with predefined potentials and wavelet transform spectra Biswas, Aritri
436-437 C p.
 article
3317 Revival of resonance shape parameter in elastic scattering of H atom with charged fullerenes C60 z+ Dubey, Km Akanksha
436-437 C p.
 article
3318 Revival structure of rotational wave packets in the process of the field-free molecular orientation Li, Hao
436-437 C p.
 article
3319 Revolutionizing polymer engineering for Photodetectors: A Machine Learning-Assisted paradigm for rapid materials discovery Zhou, Jing
436-437 C p.
 article
3320 RF nitrogen plasma irradiation of metal-doped TiO2 nanowire arrays as an effective technique for improved light transmission and optical bandgap manipulation Muhammad, B.L.
436-437 C p.
 article
3321 Ring-puckering potential energy functions for cyclobutane and related molecules based on refined kinetic energy expansions and theoretical calculations Ocola, Esther J.
436-437 C p.
 article
3322 R-matrix calculation of electron collisions with the ICl molecule Singh, Jasmeet
436-437 C p.
 article
3323 Robust band gap topological insulators of SbS and SbSH Hu, Xing-kai
 2019
 436-437 C p. 110-113
 article
3324 Robust control of photoassociation of slow O+H collision Zhang, Wei
 2017
 436-437 C p. 149-155
7 p.
 article
3325 Role of Ar dilution of SiH4/PH3 gas mixture on PECVD based film growth process, hydrogen bonding configuration, and optical properties of n-type a-Si:H thin films Singh, Chandra Bhal
436-437 C p.
 article
3326 Role of asymmetric magnetic electrodes in tuning spin selective rectification action of borazine [B3N3H6] Sen, Sabyasachi
 2017
 436-437 C p. 126-135
10 p.
 article
3327 Role of d-orbital electrons in tuning multifunctional spintronic action in pi-stacked Cn-C6H6-Fe-C6H6-C13-n Bhowmick, Rinki
436-437 C p.
 article
3328 Role of geminate electron-hole pairs in the time-resolved terahertz spectroscopy of organic semiconductors Lukin, L.V.
 2019
 436-437 C p. 177-187
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3329 Role of molecule-electrode coupling strength in inducing inelastic transmission spectra of Hf@C28 Koley, Sayantanu
436-437 C p.
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3330 Role of solid-liquid interaction energy on anomalous thermal conductivity enhancement in well-dispersed dilute nanofluids studied by equilibrium molecular dynamics Wang, Xin
436-437 C p.
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3331 Role of triplet correlations in anomalous self-diffusion coefficient Gaganpreet ,
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3332 Roles of chemically inequivalent N(CH3)4 ions in phase transition temperatures in [N(CH3)4]2CoCl4 by single-crystal NMR and MAS NMR Lim, Ae Ran
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 436-437 C p. 46-50
5 p.
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3333 Room-temperature phosphorescence luminophores design with enhanced spin-orbit coupling through heavy atom effect Gao, Ying
436-437 C p.
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3334 Rotamers of m-chloroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy Huang, Hsin Chang
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3335 Rotating single molecule-based devices: Single-spin switching, negative differential electrical and thermoelectric resistance Yang, X.F.
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3336 Rotational nonequilibrium in state-resolved models for shock-heated flows Lino da Silva, M.
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8 p.
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3337 Rotational tunneling in molecular crystals revisited: Realization of pocket states Press, Werner
436-437 C p.
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3338 Rototranslational collision-induced absorption and collision-induced light scattering spectra of molecular hydrogen using isotropic intermolecular potentials El-Kader, M.S.A.
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15 p.
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3339 Rovibrational bound states of SO2 isotopologues. II: Total angular momentum J =11–20 Kumar, Praveen
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 436-437 C p. 34-46
13 p.
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3340 Rovibrational bound states of SO2 isotopologues. I: Total angular momentum J =0–10 Kumar, Praveen
436-437 C p. 59-73
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3341 Ruddlesden-Popper compound Sr2TiO4 doped with chalcogens for optoelectronic applications: Insights from first-principle calculations Ziati, Meryem
436-437 C p.
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3342 Ruthenium and osmium carbonyl nitrosyl complexes: Matrix infrared spectra and density functional calculations for M(CO)2(NO)2 and M(CO)(NO) (M=Ru, Os) Song, Zhenjun
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 436-437 C p. 134-142
9 p.
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3343 Scaled equation of state for multi-component fluids Belyakov, M.Yu.
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6 p.
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3344 Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory Castro, A.
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5 p.
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3345 Scattering of N2 molecules from tungsten surfaces: crystallographic anisotropy effects in the energy exchanges Rutigliano, Maria
436-437 C p.
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3346 Scenario of temperature-related variation of phosphorescence spectra of ortho-bromobenzophenone crystal Strzhemechny, M.A.
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 436-437 C p. 58-64
7 p.
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3347 Screening length in concentrated electrolytes Apostol, M.
436-437 C p.
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3348 Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculations Nguyen, Trung Hai
436-437 C p.
 article
3349 Second virial coefficient of bounded repulsive potentials Heyes, D.M.
436-437 C p. 174-181
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3350 Second virial coefficients of Exp-6 chains: A Monte Carlo simulation Mohammadi, Aliasghar
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 436-437 C p. 26-33
8 p.
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3351 Selected boron, aluminum, and gallium trihalide and trihydride anions Brzeski, Jakub
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3352 Selective adsorption of uranium(VI) by clay minerals from saline conditions: Molecular dynamics simulations Yang, Sen
436-437 C p.
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3353 Selective enhancement of single-order and two-order harmonics from He atom via two-color and three-color laser fields Li, Yi
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 436-437 C p.
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3354 Selective synthesis of CuO/C nanocomposites and porous CuO based on polyacrylic acid hydrogel system as high-performance anode for lithium-ion batteries Wang, Fei
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 436-437 C p. 1-7
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3355 Selectivity in the inelastic rotational scattering of D2 and HD molecules from graphite: Similarities and differences respect to the H2 case Rutigliano, Maria
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 436-437 C p. 38-47
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3356 Selectivity in the inelastic rotational scattering of hydrogen molecules from graphite Rutigliano, Maria
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9 p.
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3357 Self assembly and gelation in solutions of chiral N-trifluoroacetylated α-aminoalcohols Stovbun, Sergey V.
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 436-437 C p. 34-44
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3358 Self-assembly of ABA triblock copolymers under soft confinement Sheng, Yuping
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 436-437 C p. 46-52
7 p.
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3359 Self-assembly of doxorubicin and a drug-binding peptide studied by molecular dynamics Gocheva, Gergana
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3360 Self-assembly of gelator molecules in liquid crystals studied by ESR Andreis , Mladen
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 436-437 C p. 81-88
8 p.
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3361 Self-assembly of neuroprotective carbazolium based small molecules at octane/water interface: A simulation investigation Zolghadr, Amin Reza
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 436-437 C p. 1-11
11 p.
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3362 Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport Colonna, G.
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 436-437 C p. 37-45
9 p.
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3363 Self-consistent phonons: An accurate and practical method to account for anharmonic effects in equilibrium properties of general classical or quantum many-body systems Brown, Sandra E.
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 436-437 C p. 69-76
8 p.
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3364 Self-limiting oxidation of AgPdF nanoalloy models: A computational investigation Xu, Yating
436-437 C p.
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3365 Self-organized nanostructured spherulitic crystal pattern formation in Belousov–Zhabotinsky type reaction system Srivastava, Rohit
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15 p.
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3366 Semiclassical propagation: Hilbert space vs. Wigner representation Gottwald, Fabian
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3367 Semi-empirical linear correlation between surface tension and thermodynamics properties of liquids and vapours Elustondo, Diego
436-437 C p.
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3368 Semi-metallic bilayer borophene for lithium-ion batteries anode material: A first-principles study Chen, Miaogen
436-437 C p.
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3369 Sensing response of novel ε-antimonene nanosheet towards ethyl acetate and isopropyl acetate – A DFT insight Nagarajan, V.
436-437 C p.
 article
3370 Sensing response of pentagonal B2C nanosheet towards VOCs: A study combining DFT and molecular dynamics simulations Rahimi, Rezvan
436-437 C p.
 article
3371 Sensitive sensing platform based on NiO and NiO-Ni nanoparticles for electrochemical determination of Metronidazole Darbandi, Masih
436-437 C p.
 article
3372 Separating type I heterojunction of NaBi(MoO4)2/Bi2MoO6 by TiO2 nanofibers for enhanced visible-photocatalysis Li, Yuejun
436-437 C p.
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3373 Separation of geminate electron-hole pairs at donor-acceptor interfaces in the approximation of prescribed diffusion Lukin, L.V.
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10 p.
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3374 Separation of strong (bond-breaking) from weak (dynamical) correlation Kutzelnigg, Werner
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 436-437 C p. 119-124
6 p.
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3375 Separation of trans-1, 3‑butadiene from C4 hydrocarbons mixtures by metal organic framework: A molecular dynamics simulation investigation Mukherjee, Piyali
436-437 C p.
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3376 Series reactions A → B → C on successive spheres Strieder, William
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 436-437 C p. 11-16
6 p.
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3377 Several considerations on the empirical rate formula for ion-molecule reactions and low-temperature-high-speed radical reactions Sato, Shin
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3378 Shape-dependent thermal and fluidic properties of Ag-H2O nanofluids in microchannel: A molecular dynamics study Zhang, Ruihao
436-437 C p.
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3379 Shapeshifting radicals Karton, Amir
436-437 C p.
 article
3380 Shear banding in simulated telechelic polymers Billen, Joris
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 436-437 C p. 7-12
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3381 Shear flow-driven droplet motion with smoothed dissipative particle dynamics Zhang, Kaixuan
436-437 C p.
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3382 Shear viscosity of binary mixtures: The Gay–Berne potential Khordad, R.
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8 p.
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3383 Shell effect on the electron and hole reorganization energy of core-shell II–VI nanoclusters Cui, Xianhui
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 436-437 C p. 72-77
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3384 Shielding behaviour of (20 + x) Bi2O3 – 20BaO–10Na2O–10MgO–(40-x) B2O3: An experimental and Monte Carlo study Sayyed, M.I.
436-437 C p.
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3385 Short and medium-range orders in Co3Al metallic glass Kbirou, M.
436-437 C p. 58-66
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3386 Short hydrogen bonds in 2,4-dinitrobenzoic acid complexed with pyridine Hartl, Monika
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 436-437 C p. 87-94
8 p.
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3387 Side chain effect on electronic structure of spin-coated films of [6,6]-phenyl-C61-butyric acid methyl ester and its bis-adduct Akaike, Kouki
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 436-437 C p. 31-35
5 p.
 article
3388 Signature of the geometric phase in the wave packet dynamics on hypersurfaces Duan, Hong-Guang
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 436-437 C p. 21-27
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3389 Signatures of Anderson localization and delocalized random quantum states Moro, Giorgio J.
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 436-437 C p. 141-149
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3390 Significant modulation of CO adsorption on bimetallic Au19Li cluster Mondal, Krishnakanta
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 436-437 C p. 75-81
7 p.
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3391 Significant nuclear quantum effect of proton in the reaction of phenol and hydroxyl radical Udagawa, Taro
436-437 C p.
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3392 Silatranes: Relationship between the experimental Si ← N dative bond length and its calculated energy according to AIM analysis data Sterkhova, Irina V.
436-437 C p.
 article
3393 Silicene-like beryllium encapsulated nanowires Ran, Qiong
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6 p.
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3394 Silicon carbide nanowire covered by vertically oriented graphene for enhanced electromagnetic wave absorption performance Zhao, Dan
436-437 C p.
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3395 Silicon rods as a negative electrode material for lithium-ion cells: Quantum chemical modeling Dobrovolsky, Yu. A.
 2019
 436-437 C p. 45-51
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3396 Simple hydrated salts in methanolic and aqueous solutions – Acoustic and spectroscopic studies Burakowski, Andrzej
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 436-437 C p. 5-9
5 p.
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3397 Simplified and economical 2D IR spectrometer design using a dual acousto-optic modulator Skoff, David R.
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 436-437 C p. 8-15
8 p.
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3398 Simplified synthesis of N-doped carbon nanotube arrayed mesoporous carbon for electrochemical detection of amitrole Zhou, Shenghai
436-437 C p.
 article
3399 Simulated disordered-to-ordered phase transition of nonadecane Hayase, Michinobu
436-437 C p.
 article
3400 Simulation analysis on furnace pressure for reducing the impurities concentrations distribution during the growth of mc-Si ingot by DS process: Solar cell applications Sekar, Sugunraj
436-437 C p.
 article
3401 Simulation calculation of the influence of interstitial atoms on the desorption behavior of tritium in nuclear graphite Zhou, Nan
436-437 C p.
 article
3402 Simulation framework for screening of molecular solar thermal systems in the context of a hybrid device Hansen, Mia Harring
 2019
 436-437 C p. 92-100
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3403 Simulation of adsorption and diffusion behaviors of H2O and O2 in low-rank coal pores Meng, Xianliang
436-437 C p.
 article
3404 Simulation of light transmission through core-shell heterostructure nano-materials Yin, Yunzhen
436-437 C p.
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3405 Simulation of Raman-Spectra of water using machine learning potentials Eckwert, Jan
436-437 C p.
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3406 Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 molecules Dutoi, Anthony D.
 2017
 436-437 C p. 249-264
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3407 Simulation research of localized surface plasmon sensor based on gold nanocone hexagonal array structure Hongyu, Wang
436-437 C p.
 article
3408 Simulations of absorption and fluorescence lineshapes using the reaction coordinate method Rybakovas, Edvardas
 2018
 436-437 C p. 242-251
 article
3409 Simulations of pump probe spectra of a molecular complex at high excitation intensity Bubilaitis, Vytautas
 2019
 436-437 C p.
 article
3410 Simulations of the polarisation-dependent Raman intensity of β -carotene in photosystem II crystals Brose, K.
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 436-437 C p. 65-73
9 p.
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3411 Simulations of two-dimensional infrared and stimulated resonance Raman spectra of photoactive yellow protein Preketes, Nicholas K.
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10 p.
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3412 Simultaneous effects of pressure and temperature on the optical transition energies in a Ga0.7In0.3N/GaN quantum ring Bala, K. Jaya
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 436-437 C p. 42-47
6 p.
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3413 Simultaneous influence of hydrostatic pressure and temperature on diamagnetic susceptibility of impurity doped quantum dots under the aegis of noise Saha, Surajit
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 436-437 C p. 17-22
6 p.
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3414 Simultaneous ligand and cation exchange in PbSe/CdSe nanocrystal films Treml, B.E.
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 436-437 C p. 69-74
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3415 Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogen Nieman, Reed
 2017
 436-437 C p. 346-354
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3416 Single crystal synthesis of nickel micro-particles with effective involvement of surfactants Khizar Shafique, M.
436-437 C p.
 article
3417 Single Fe atom substitutionally doped Janus MoSSe monolayer as a cost-effective electrocatalyst for CO2 reduction to HCOOH He, Yu-Pu
436-437 C p.
 article
3418 Single-layer and bilayer In2SeO2: Direct bandgap and reduced exciton binding from first-principles calculation Song, Wen-Hao
436-437 C p.
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3419 Single-Layer InGeS: Robust direct Bandgap, super high electron Mobility, long-lived Carriers, and Ohmic contact for Next-Generation Field-Effect transistors Cheng, Jie
436-437 C p.
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3420 Single-photon double and triple ionization of acetaldehyde (ethanal) studied by multi-electron coincidence spectroscopy Zagorodskikh, S.
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10 p.
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3421 Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers Malrieu, Jean-Paul
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6 p.
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3422 Single site double core level ionisation of OCS Hedin, L.
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6 p.
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3423 Singlet oxygen generation proportion from triplet state of porphyrin in water Li, Lu
436-437 C p.
 article
3424 Single transition metal atom catalysts on defective VSeTe monolayer for efficient ORR Zhao, Lujing
436-437 C p.
 article
3425 Sintering and deposition of homo- and heteronanoparticles of aluminum and nickel on aluminum (100) substrate koraychy, E. El
436-437 C p.
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3426 Site-selective photofragmentation of chlorinated polymeric films observed around the chlorine K-edge Arantes, C.
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5 p.
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3427 Site-specificity reduction during Auger decay following Si:2p photoionization in Cl3SiSi(CH3)3 vapor: An interatomic-Coulombic-decay-like process Nagaoka, Shin-ichi
436-437 C p.
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3428 Six dimensional propagation of the H2 molecule confined in a Single-walled Carbon Nanotube Mondelo-Martell, Manel
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 436-437 C p. 41-50
10 p.
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3429 Six novel silicon carbide with direct bandgaps: A comprehensive study Qin, Yingshuo
436-437 C p.
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3430 Size-controlled non-Fickian diffusion in a combined micro- and mesoporous material Zhokh, Alexey
 2019
 436-437 C p. 27-31
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3431 Size dependence in the electronic and optical properties of a BN analogue of two-dimensional graphdiyne: A theoretical study Muz, İskender
436-437 C p.
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3432 Size-dependent reactivity of highly photoluminescent CdZnTeS alloyed quantum dots to mercury and lead ions Hoang, Quang-Bac
436-437 C p.
 article
3433 Size effect and identified superior functional units enhancing second harmonic generation responses on the II-IV-V2 type nonlinear optical crystals He, Guijie
 2019
 436-437 C p. 101-106
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3434 Slow and fast multi-photon ionization of clusters in strong XUV and X-ray pulses Gnodtke, Christian
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 436-437 C p. 65-68
4 p.
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3435 Slow photon amplification of gas-phase ethanol photo-oxidation in titania inverse opal photonic crystals Jovic, Vedran
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13 p.
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3436 Sm3+ incorporated Ba2GdV3O11: Photometric and crystal analysis of the ultraviolet triggered nanophosphor with white emission Phogat, Priya
436-437 C p.
 article
3437 Sm3+ photoluminescence and excited-state dynamics in lithium-barium borate glasses co-doped with CuO Jiménez, José A.
436-437 C p.
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3438 Sm-SrAl2O4 Nanomaterial: Intensive Orange-red component for white LED, Latent finger Print, and anti-counterfeiting applications Ashwini, K.R.
436-437 C p.
 article
3439 SnAu clusters as detectors of CO and NO gases: A DFT study Zhang, Huan
436-437 C p.
 article
3440 S⋯N chalcogen bonded complexes of carbon disulfide with diazines. Theoretical study Zierkiewicz, Wiktor
 2018
 436-437 C p. 37-44
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3441 SnO2 coupled cobalt pyrite for Hg0 removal from simulated flue gas Li, Chaoen
436-437 C p.
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3442 SnS2 monolayer and SnS2/graphene heterostructure as promising anchoring materials for lithium-sulfur batteries: A computational study Mao, Xiaotong
436-437 C p.
 article
3443 SnS2 with different exposed crystal planes for NO2 gas sensing Xu, Siyu
436-437 C p.
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3444 Sodium hydride NaH( X 1 Σ + ) in collision with helium He( 1 S ) at low temperature: Potential energy surface and rotational rate coefficients Bop, Cheikh T.
 2019
 436-437 C p. 21-26
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3445 Soft X-ray probes of ultrafast dynamics for heterogeneous catalysis Beye , M.
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9 p.
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3446 Sol-gel synthesis of stabilized silver nanoparticles in an organosiloxane matrix and its optical nonlinearity Maharjan, Surendra
436-437 C p.
 article
3447 Solid combustion synthesis of MnO2/NiO/Ag nanocomposites for efficient degradation of methylene blue and their antibacterial activity Parameswaran, Sampath
436-437 C p.
 article
3448 Solid-liquid equilibrium, structural features and separation process of ammonium potassium dihydrogen phosphate solid solution Zhang, Yujia
436-437 C p.
 article
3449 Solid state photochromism and thermochromism of two related N-salicylidene anilines Avadanei, Mihaela
 2014
 436-437 C p. 43-51
9 p.
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3450 Solution to a 3D atom–laser interaction problem by sine-DVR and split-operator propagator Yuan, Minghu
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 436-437 C p. 9-13
5 p.
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3451 Solvable model of a trapped mixture of Bose–Einstein condensates Klaiman, Shachar
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 436-437 C p. 362-373
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3452 Solvated structures of pyrrole–acetonitrile binary clusters studied by infrared cavity ringdown spectroscopy Iwamoto, Jun-ichi
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 436-437 C p. 184-192
9 p.
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3453 Solvation and speciation of cobalt(II). A theoretical X-ray absorption and RIXS study Allehyani, Basmah H.
436-437 C p.
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3454 Solvation dynamics in SDS micelle revisited with femtosecond time resolution to reveal the probe and concentration dependence Mukherjee, Puspal
436-437 C p. 141-148
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3455 Solvation effects alter the photochemistry of 2-thiocytosine Janicki, Mikołaj J.
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 436-437 C p. 502-508
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3456 Solvation of HeH+ in neon atoms: Proton-bound complexes of mixed He and Ne Dallas, Jax
436-437 C p.
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3457 Solvation of Mg2+ ions in methanol–water mixtures: Molecular dynamics simulation Rybicki, Marcin
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 436-437 C p. 79-85
7 p.
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3458 Solvation of narrow pores of graphene-like plates in simple dipolar liquids: Wetting and dewetting behavior and solvent dynamics for varying pore width and solute–solvent interaction Rana, Malay Kumar
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 436-437 C p. 78-86
9 p.
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3459 Solvation structure and dynamics of Li+ ion in liquid water, methanol and ethanol: A comparison study Zeng, Yongping
 2014
 436-437 C p. 89-97
9 p.
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3460 Solvation structure and dynamics of Na+ in liquid ammonia studied by ONIOM-XS MD simulations Sripradite, Jarukorn
 2015
 436-437 C p. 88-94
7 p.
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3461 Solvation structure and dynamics of Ni2+(aq) from a polarizable force field Mareš, Jiří
 2014
 436-437 C p. 112-122
11 p.
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3462 Solvation structure of nanoscopic hydrophobic solutes in supercritical water: Results for varying thickness of hydrophobic walls, solute–solvent interaction and solvent density Rana , Malay Kumar
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 436-437 C p. 28-35
8 p.
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3463 Solvation structures and dynamics of alkaline earth metal halides in supercritical water: A molecular dynamics study Keshri, Sonanki
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 436-437 C p. 80-90
11 p.
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3464 Solvation structures of lithium halides in methanol–water mixtures Sarkar, Atanu
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 436-437 C p. 76-85
10 p.
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3465 Solvatochromism and intramolecular charge transfer in dialkylamino-substituted halogenated thienyl chalcone analogues Sucre-Rosales, Estefanía
436-437 C p.
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3466 Solvatochromism, multiphoton fluorescence, and resonance energy transfer in a new octupolar dye-pair Namboodiri, C.K.R.
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 436-437 C p. 190-195
6 p.
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3467 Solved and unsolved problems in relativistic quantum chemistry Kutzelnigg, Werner
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 436-437 C p. 16-34
19 p.
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3468 Solvent effect on the efficiency of triphenylamine-based dye-sensitized solar cells, molecular approach Pakravesh, Faezeh
436-437 C p.
 article
3469 Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models Martinez-Fernandez, Lara
 2018
 436-437 C p. 493-501
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3470 Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride Salavati-fard, Taha
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 436-437 C p. 118-124
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3471 Solvent-induced changes on the polarity of the triplet excited state of 2-chlorothioxanthone: From time-resolved absorption and resonance Raman spectroscopies Pandey, Rishikesh
 2014
 436-437 C p. 175-180
6 p.
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3472 Solvent induced fluorescence enhancement of graphene oxide studied by ultrafast spectroscopy Zhao, Litao
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 436-437 C p. 1-6
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3473 Solvent-induced polarization dynamics and coherent two-dimensional spectroscopy: Dissipaton equation of motion approach Zhang, Hou-Dao
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 436-437 C p. 237-244
8 p.
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3474 Solvent mediated catalysis and proton-shuttling in the formation of 3-methylphthalide from a ketene intermediate Weingart, O.
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 436-437 C p. 750-756
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3475 Solvent rearrangements during the transition from hydrophilic to hydrophobic solvation Penfold, T.J.
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 436-437 C p. 25-30
6 p.
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3476 Some exact time-domain results related to reversible reaction–diffusion systems Saravanan, Rajendran
436-437 C p.
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3477 Some possible channels for the N2 formation and their probable effects on the interstellar elemental nitrogen partitioning: A computational study Bhasi, Priya
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 436-437 C p. 20-31
12 p.
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3478 Some remarks on the investigation of structure, thermodynamic and surface properties of liquid metals using square well potential Dubinin, N.E.
436-437 C p.
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3479 Sonication mediated covalent cross-linking of DNA to single-walled carbon nanotubes Dolash, Bridget D.
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 436-437 C p. 11-19
9 p.
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3480 Sonochemical production of hydrogen: Enhancement by summed harmonics excitation Kerboua, Kaouther
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 436-437 C p. 27-37
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3481 Spatial localization of electron pairs in molecules using the Fisher information density Astakhov, Andrey A.
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 436-437 C p. 49-56
8 p.
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3482 Spatial variation in carrier dynamics along a single CdSSe nanowire Blake, Jolie C.
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 436-437 C p. 128-131
4 p.
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3483 Spatio-spectral analysis of ionization times in high-harmonic generation Soifer , Hadas
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 436-437 C p. 176-183
8 p.
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3484 Special issue of Chemical Physics on recent advances and applications of relativistic quantum chemistry Liu, Wenjian
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 436-437 C p. 1-
1 p.
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3485 Specific solvent effect on lumazine photophysics: A combined fluorescence and intrinsic reaction coordinate analysis Moyon, N. Shaemningwar
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 436-437 C p. 22-31
10 p.
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3486 Specific solvent effect on the photophysical behavior of substituted chromones: A combined fluorescence, DFT and MD study Rohman, Mostofa Ataur
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 436-437 C p. 67-79
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3487 Spectra and relaxation dynamics of the pseudohalide (PS) vibrational bands for Ru(bpy)2(PS)2 complexes, PS=CN, NCS and N3 Compton, Ryan
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 436-437 C p. 135-142
8 p.
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3488 Spectral characterization of the main pigments in the plant photosynthetic apparatus by theory and experiment Götze, Jan P.
436-437 C p.
 article
3489 Spectral character of intermediate state in solid-state photoarrangement of α-santonin Chen , Xing
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 436-437 C p. 40-45
6 p.
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3490 Spectral lineshapes of collision-induced absorption (CIA) and collision-induced light scattering (CILS) for molecular nitrogen using isotropic intermolecular potential. New insights and perspectives El-Kader, M.S.A.
 2014
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8 p.
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3491 Spectroelectrochemical evidence for the effect of phase structure and interface on charge behavior in poly(3-hexylthiophene): Fullerene active layer Hu, Rong
 2016
 436-437 C p. 29-35
7 p.
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3492 Spectroscopic ab initio investigation of the electronic properties of (SrK)+ Souissi, Hanen
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 436-437 C p. 19-28
10 p.
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3493 Spectroscopic and electronic properties of a copolymer and its metal complexes: A theoretical and experimental study Acikses, Aslisah
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 436-437 C p.
 article
3494 Spectroscopic and molecular docking approach of the interaction of vitamins with human serum transferrin Cazacu, Nicoleta
436-437 C p.
 article
3495 Spectroscopic characterization and aggregation of azine compounds in different media Urrutia, María Noel
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 436-437 C p. 41-50
10 p.
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3496 Spectroscopic determination of enthalpies of sublimation of organic materials in the vapor phase: Benzoic acid, ferrocene, and naphthalene Hikal, Walid M.
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 436-437 C p. 228-231
4 p.
 article
3497 Spectroscopic determination of the acidity constants and the effects of pH, temperature and solvents on the tautomerism of 1-substituted phenyl-3,5-diphenylformazans Yaman, Müjgan
436-437 C p.
 article
3498 Spectroscopic investigation of the influence of Cu+ ions and plasmonic Cu particles on Ho3+ luminescence in phosphate glass Jiménez, José A.
436-437 C p.
 article
3499 Spectroscopic investigation on intermolecular and intramolecular motions of concentrated aqueous KSCN solution Lu, Rong
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 436-437 C p. 46-52
7 p.
 article
3500 Spectroscopic properties of ErAl3(BO3)4 single crystal Malakhovskii, A.V.
 2014
 436-437 C p. 137-143
7 p.
 article
3501 Spectroscopic properties of Rhodamine B entrapped in hybrid porous nanolayers at high dye concentration Lewkowicz, A.
 2014
 436-437 C p. 121-127
7 p.
 article
3502 Spectroscopic studies on Pr3+ doped YPO4 and LuPO4 upon vacuum ultraviolet (VUV) and synchrotron radiation excitation Kappelhoff, Jan
436-437 C p.
 article
3503 Spectroscopic study of cystine adsorption on pyrite surface: From vacuum to solution conditions Sanchez-Arenillas, M.
 2015
 436-437 C p. 92-98
7 p.
 article
3504 Spectroscopic, X-ray, mechanistic and DFT studies on formation of novel benzoimidazole-4-ones from cyclohexenyl carbothioamides Rana, Jasneet
436-437 C p.
 article
3505 Spectroscopy of CdKr van der Waals complex using OODR process: New determination of the E 3 Σ 1 + ( 5 s 6 s 3 S 1 ) Rydberg state potential Urbańczyk, T.
 2019
 436-437 C p.
 article
3506 Spinel-type Na2MoO4 and Na2WO4 as promising optoelectronic materials: First-principle DFT calculations Abbas, Syed Adeel
436-437 C p.
 article
3507 Spinel-type nickel iron oxide anchored on conducting polymer PANI: A novel electrocatalyst for hydrogen evolution reaction (HER) Faiz, Ayesha
436-437 C p.
 article
3508 Spin-filtering in graphene junctions with Ti and Co adsorbates del Castillo, Elisabetta
 2016
 436-437 C p. 91-96
6 p.
 article
3509 Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods Kim, Inkoo
 2012
 436-437 C p. 115-121
7 p.
 article
3510 Spin–orbit coupling effect on Au–C60 interaction: A density functional theory study Zeng, Qun
 2012
 436-437 C p. 82-86
5 p.
 article
3511 Spin-orbit coupling effect on pressure-induced phase transitions, magnetic, and electronic properties in YFeO3: A first-principles study Xing, Zhang-Yao
436-437 C p.
 article
3512 Spin-orbit coupling mechanism of singlet oxygen a 1 Δ g quenching by solvent vibrations Minaev, B.F.
 2017
 436-437 C p. 84-95
12 p.
 article
3513 Spin–orbit coupling tunable electronic properties of 1 T ′ -MoS 2 and ternary Janus 1 T ′ -MoSSe monolayers: Theoretical prediction Hieu, Nguyen N.
436-437 C p.
 article
3514 Spin–orbit effects, electronic decay and breakdown phenomena in the photoelectron spectra of iodomethane Pernpointner, Markus
 2012
 436-437 C p. 39-45
7 p.
 article
3515 Spin – Orbit interaction in Yb3+ – Ground level and nephelauxetic effect in crystals Petrov, Dimitar N.
 2019
 436-437 C p.
 article
3516 Spin-polarized transport through heterobilayers of graphene nanoribbons and ruthenium-porphyrin tapes Kang, Hong Seok
 2012
 436-437 C p. 148-154
7 p.
 article
3517 Spin–spin coupling in the HD molecule determined from 1H and 2H NMR experiments in the gas-phase Garbacz, Piotr
 2014
 436-437 C p. 1-7
7 p.
 article
3518 Spin state transitions upon visible and infrared excitation of ferric MbN3 Helbing, Jan
 2012
 436-437 C p. 17-22
6 p.
 article
3519 Spin transport in a DNA molecule modified by cytosine methylation Matsuura, Yukihito
436-437 C p.
 article
3520 Spiral waves with interfacial oscillatory chemical reactions emerge in a model of reaction-diffusion systems Gao, Jian
 2020
 436-437 C p.
 article
3521 Spodium and tetrel bonds involving Zn(II)/Cd(II) and their interplay Liu, Na
436-437 C p.
 article
3522 Spontaneous polyiodide formation by unbalancing of charge in room-temperature ionic liquid-lithium salt solutions Kishimura, Hiroaki
 2018
 436-437 C p. 25-30
 article
3523 Spontaneous self-assembly of water-soluble porphyrins having poly(ethylene glycol) as branches: Dependence of aggregate properties from the building block architecture Villari, Valentina
 2012
 436-437 C p. 23-31
9 p.
 article
3524 Spreading probability distribution and increase of entropy due to coherent quantum dynamics: Proof-of-principle for a model molecular boron rotor Yang, Hongjuan
436-437 C p.
 article
3525 Stability and electronic properties of oxygen-doped ZnS polytypes: DFTB study Popov, Ilya S.
 2018
 436-437 C p. 70-76
 article
3526 Stability and electronic structure of carbon capsules with superior gas storage properties: A theoretical study Manna, Arun K.
 2013
 436-437 C p. 23-30
8 p.
 article
3527 Stability and isomerization reactions of phenyl cation C6H5 + isomers Shi, Dandan
 2016
 436-437 C p. 13-20
8 p.
 article
3528 Stability and properties of quasi-stable conformational states in the LH2 light-harvesting complex of Rbl. acidophilus bacteria formed by hexacoordination of bacteriochlorophyll a magnesium atom Belov, Aleksandr S.
 2017
 436-437 C p. 81-91
11 p.
 article
3529 Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca Falcetta, Michael F.
 2017
 436-437 C p. 239-243
 article
3530 Stabilization of non-typical forms of boron clusters by beryllium doping Gribanova, Tatyana N.
 2019
 436-437 C p. 44-54
 article
3531 Stable structures of Al510–800 clusters and lowest energy sequence of truncated octahedral Al clusters up to 10,000 atoms Wu, Xia
 2012
 436-437 C p. 100-106
7 p.
 article
3532 Stacked base-pair structures of adenine nucleosides stabilized by the formation of hydrogen-bonding network involving the two sugar groups Asami, Hiroya
 2013
 436-437 C p. 84-89
6 p.
 article
3533 Stacking impact on the optical and electronic properties of two-dimensional MoSe2/PtS2 heterostructures formed by PtS2 and MoSe2 monolayers Almayyali, Ali Obies Muhsen
436-437 C p.
 article
3534 π -Stacking interactions in YFP, quantum mechanics and force field evaluations in the S0 and S1 states Merabti, Karim Elhadj
 2017
 436-437 C p. 157-165
9 p.
 article
3535 Stark shift of impurity doped quantum dots: Role of noise Arif, Sk. Md.
 2018
 436-437 C p. 101-109
 article
3536 State-resolved master equation analysis of thermochemical nonequilibrium of nitrogen Kim , Jae Gang
 2013
 436-437 C p. 237-246
10 p.
 article
3537 State-specific dissociation in O2–O2 collisions by quasiclassical trajectory method Andrienko, Daniil A.
 2017
 436-437 C p. 74-81
8 p.
 article
3538 State specific multireference Møller–Plesset perturbation theory: A few applications to ground, excited and ionized states Chattopadhyay, Sudip
 2012
 436-437 C p. 15-26
12 p.
 article
3539 State-specific transport properties of partially ionized flows of electronically excited atomic gases Istomin, V.A.
 2017
 436-437 C p. 125-139
 article
3540 States with identical steady dissipation rate in reaction networks: A non-equilibrium thermodynamic insight in enzyme efficiency Banerjee, Kinshuk
 2014
 436-437 C p. 1-6
6 p.
 article
3541 State-to-state description of reacting air flows behind shock waves Kunova, O.V.
 2014
 436-437 C p. 66-76
11 p.
 article
3542 State-to-state dynamical studies of the C+ + H2(v = 0, j = 0) → CH+ + H reaction using time-dependent wave packet method Li, Wentao
436-437 C p.
 article
3543 State-to-state modeling of a recombining nitrogen plasma experiment Laux, Christophe O.
 2012
 436-437 C p. 46-55
10 p.
 article
3544 State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers Armenise, I.
 2013
 436-437 C p. 269-281
13 p.
 article
3545 State-to-state quantum dynamics of the H + LiF → Li + HF reaction on an accurate ab initio potential energy surface Xie, Changjian
 2018
 436-437 C p. 427-433
 article
3546 State-to-state vibrational kinetics of diatomic molecules in laser-induced ignition of a syngas-air mixture: Modeling study Kadochnikov, Ilya N.
436-437 C p.
 article
3547 Stimulated Raman adiabatic passage: Effects of system parameters on population transfer Ahmadinouri, Fatemeh
436-437 C p.
 article
3548 Stochastically correlated versus uncorrelated quantum-state diffusion dynamics in different electronic states: third-order polarizations and two-dimensional vibronic spectra Wehner, Johannes
 2018
 436-437 C p. 102-107
 article
3549 Stochastic dynamics of extended objects in driven systems: I. Higher-dimensional currents in the continuous setting Catanzaro, Michael J.
 2016
 436-437 C p. 5-18
14 p.
 article
3550 Stochastic dynamics of extended objects in driven systems II: Current quantization in the low-temperature limit Catanzaro, Michael J.
 2016
 436-437 C p. 19-27
9 p.
 article
3551 Stochastic model of collisional energy transfer based on the diffusion equation Strekalov, M.L.
436-437 C p.
 article
3552 Stochastic response of ultrasensitivity: Optimized switching of mitogen activated protein kinase (MAPK) cascade Roy, Pallabi
436-437 C p.
 article
3553 Strain and electric field tunable electronic properties of type-II band alignment in van der Waals GaSe/MoSe2 heterostructure Pham, Khang D.
 2019
 436-437 C p. 92-99
 article
3554 Strain engineering of electronic and thermoelectric properties in MoS2/WSe2 bilayer Heterostructure GAN, Huimin
436-437 C p.
 article
3555 Strain Engineering of ScYCCl2 MXene Monolayer and Intercalation of Metal-ions on MXene Surface: A DFT Study Modi, Nidhi
436-437 C p.
 article
3556 Strain engineering on the electronic, phonon, and optical properties of monolayer boron antimonide Islam, Md. Rasidul
436-437 C p.
 article
3557 Strain-induced electronic phase transition in phosphorene: A Green’s function study Hien, Nguyen D.
 2019
 436-437 C p. 249-255
 article
3558 Strain induced modification in thermal properties of monolayer 1T-HfS2 and HfS2/HfSe2 heterojunction Bao, Jinlin
436-437 C p.
 article
3559 Strain regulation of TiS2/WS2 heterojunction and its performance as electrode material for Mg-ion battery in sports engineering: A DFT study Yu, Dian
436-437 C p.
 article
3560 Strain release in metastable CdSe/CdS quantum dots Gong, Ke
 2016
 436-437 C p. 18-23
 article
3561 Strain tunable electronic and optical properties of 2D orthorhombic lithium sulfur monolayer Hoat, D.M.
436-437 C p.
 article
3562 Strain-tunable electronic and optical properties of monolayer GeSe: Promising for photocatalytic water splitting applications Nguyen, Hong T.T.
436-437 C p.
 article
3563 Strategy for creating rational fraction fits to stabilization graph data on metastable electronic states Gasperich, K.
 2018
 436-437 C p. 342-349
 article
3564 Stretched exponential relaxation process of onion structures under various oscillatory shears with analysis using Shannon entropy Maruoka, Hirokazu
436-437 C p. 280-286
 article
3565 Stretched-to-compressed-exponential crossover observed in the electrical degradation kinetics of some spinel-metallic screen-printed structures Balitska, V.
 2018
 436-437 C p. 121-127
 article
3566 Strong field control of the interatomic Coulombic decay process in quantum dots Haller, Anika
 2017
 436-437 C p. 135-145
 article
3567 Structural and dynamical characterization of P3HT/PCBM blends Paternó, Giuseppe
 2013
 436-437 C p. 142-146
5 p.
 article
3568 Structural and electronic properties of Ln2Si6 q: (Sm, Eu, Yb; q = 0, −1) clusters Xie, Biao
436-437 C p.
 article
3569 Structural and electronic properties of V2B n (n =1–10) clusters Zhang, Li-Nan
 2015
 436-437 C p. 131-136
6 p.
 article
3570 Structural and spectral characterizations of mono-nitrogen doped C70 fullerene by soft X-ray spectroscopy Jiang, Zhi-Ang
436-437 C p.
 article
3571 Structural and spectroscopic studies of a commercial glassy carbon Parker, Stewart F.
 2013
 436-437 C p. 44-48
5 p.
 article
3572 Structural and thermal properties of Cd–Zn–Te ternary nanoparticles: Molecular-dynamics simulations Kurban, Mustafa
 2016
 436-437 C p. 40-45
6 p.
 article
3573 Structural and vibrational spectral analysis of polymorphs of anhydrous Acyclovir Using terahertz and Raman spectroscopy Zhao, Qiuhui
436-437 C p.
 article
3574 Structural changes in single membranes in response to an applied transmembrane electric potential revealed by time-resolved neutron/X-ray interferometry Tronin, A.
 2013
 436-437 C p. 283-289
7 p.
 article
3575 Structural changes of the KcsA potassium channel upon application of the electrode potential studied by surface-enhanced IR absorption spectroscopy Yamakata, Akira
 2013
 436-437 C p. 224-228
5 p.
 article
3576 Structural characterization of ice polymorphs from self-avoiding walks Herrero, Carlos P.
 2014
 436-437 C p. 49-56
8 p.
 article
3577 Structural consequences of chromophore formation and exploration of conserved lid residues amongst naturally occurring fluorescent proteins Zimmer, Matthew H.
 2014
 436-437 C p. 5-11
7 p.
 article
3578 Structural determination of stable MoOx monolayers on O/Cu3Au(100): DFT calculations Valadares, George C.S.
 2012
 436-437 C p. 47-49
3 p.
 article
3579 Structural distribution in mixed ternary noble gas and Lennard-Jones clusters Wu, Xia
 2013
 436-437 C p. 69-75
7 p.
 article
3580 Structural distributions from single-molecule measurements as a tool for molecular mechanics Hanson, Jeffrey A.
 2012
 436-437 C p. 61-71
11 p.
 article
3581 Structural effect on physicochemical properties of ethanolamine carboxylate ionic liquids by experimental and theoretical study Zhang, Xinyuan
436-437 C p.
 article
3582 Structural effects on heat capacity, moisture absorption and thermal expansion of epoxy-novolac polymers Khamidullin, O.L.
436-437 C p.
 article
3583 Structural, elastic, and electronic properties of BC12 carbon under pressure Xing, Mengjiang
436-437 C p.
 article
3584 Structural, electronic, and adsorbed properties of Be-rich nanoalloys: Be n Pt (n = 1–10) clusters Liu, Qiman
436-437 C p.
 article
3585 Structural, Electronic, and mechanical insights into Rb2B’AgBr6 (B’ = Ga, Al, In) double Perovskites: Pathways to Lead-Free optoelectronics Gil Rebaza, A.V.
436-437 C p.
 article
3586 Structural, electronic, and optical properties of two-dimensional and bulk ZrNBr from first-principles calculations Zhao, Shuang
436-437 C p.
 article
3587 Structural, Electronic, and Transport Properties of ATcO3 (A = Ag, Au, Cd): A First-Principles Study Khan, Saeed Ul Haq
436-437 C p.
 article
3588 Structural, electronic, mechanical and dynamical stability properties of LiAH3 (A = Sc, Ti & V) perovskite-type hydrides: A first principle study Siddique, Areeba
436-437 C p.
 article
3589 Structural, electronic, thermodynamic and optical properties of Sn l Se m S n clusters: A DFT study Kashyap, Shilpa
436-437 C p.
 article
3590 Structural evolution and electronic properties of medium-sized boron clusters doped with selenium Zheng, Hao
436-437 C p.
 article
3591 Structural exploration and properties of ( H 2 O ) 4 + cluster via ab initio in combination with particle swarm optimization method Lv, Zhen-Long
 2015
 436-437 C p. 25-30
6 p.
 article
3592 Structural features of fumed binary and ternary nanooxides with silica, alumina, and titania Gun'ko, V.M.
436-437 C p.
 article
3593 Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography Kurpiewska, Katarzyna
 2016
 436-437 C p. 53-62
10 p.
 article
3594 Structural, mechanical, anisotropic and electronic properties of BC8 carbon under pressure Xing, Mengjiang
436-437 C p.
 article
3595 Structural models of activated γ-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations Ferreira, Ary R.
 2013
 436-437 C p. 62-72
11 p.
 article
3596 Structural, morphological, thermal, mechanical, positron annihilation, and γ-ray shielding studies of nano-tungsten oxide/polyvinyl alcohol composites Mourad, M.M.
436-437 C p.
 article
3597 Structural, optical, and detailed photoluminescence characterization of solvothermal synthesized V2O5, ZrO2, and ZrV2O7 nanoparticles Chetoui, Abdelmounaim
436-437 C p.
 article
3598 Structural, optical and electronic properties of CuO and Zn doped CuO: DFT based First-principles calculations Nesa, Meherun
 2020
 436-437 C p.
 article
3599 Structural, optical and magnetic properties of cobalt doped hematite nanoparticles Mansour, Houda
 2019
 436-437 C p.
 article
3600 Structural, optical and magneto-electric coupling analysis in ‘Y’ doped double perovskite La2NiMnO6 nanoparticles Kumar, Manish
436-437 C p.
 article
3601 Structural, optical and photocatalytic properties of La0.7Ba0.3MnO3 nanoparticles prepared by microwave method Esmaeili, S.
436-437 C p.
 article
3602 Structural, optical and photocatalytic properties of TiO2/SnO2 and SnO2/TiO2 core–shell nanocomposites: An experimental and DFT investigation Chetri, Pawan
 2014
 436-437 C p. 1-10
10 p.
 article
3603 Structural, optical and photocatalytic studies of Zn doped MoO3 nanobelts Al-Otaibi, Amal L.
 2019
 436-437 C p.
 article
3604 Structural properties in single-component metallic nanoparticle: Insights from the simulation study Essajai, R.
 2019
 436-437 C p.
 article
3605 Structural, spectroscopic and computational studies of the 2:1 complex of nipecotic acid with squaric acid Bartoszak-Adamska, Elżbieta
 2014
 436-437 C p. 7-14
8 p.
 article
3606 Structural, spectroscopic and electron collisional studies of isoxazole (C3H3NO) Jani, Tejas
436-437 C p.
 article
3607 Structural, spectroscopic and theoretical studies on 3,4,7,8-tetramethyl-1,10-phenantroline complex with picric acid Bator, G.
 2013
 436-437 C p. 55-65
11 p.
 article
3608 Structural stability and electronic properties of fluorine-doped graphene Agbolade, Lukman Olatomiwa
436-437 C p.
 article
3609 Structural transformations of 3-fluoro and 3-fluoro-4-methoxy benzaldehydes under cryogenic conditions: A computational and low temperature infrared spectroscopy investigation Ogruc Ildiz, G.
 2018
 436-437 C p. 7-19
 article
3610 Structural transition in aqueous lipid/bile salt [DPPC/NaDC] supramolecular aggregates: SANS and DLS study Kiselev, M.A.
 2013
 436-437 C p. 93-99
7 p.
 article
3611 Structural transitions of ovalbumin/κ-carrageenan complexes under the effects of pH and composition Lu, Zhizhuo
436-437 C p.
 article
3612 Structure and aggregation proclivity of C12E3 in aqueous solution Zahariev, Ts.
 2013
 436-437 C p. 1-8
8 p.
 article
3613 Structure and bonding of ScCN and ScNC: Ground and low-lying states Kalemos, Apostolos
 2012
 436-437 C p. 46-49
4 p.
 article
3614 Structure and dynamics of noble gas-halogen and noble gas ionic clusters: When theory meets experiment Beswick, J.A.
 2012
 436-437 C p. 4-16
13 p.
 article
3615 Structure and electronic properties of ion pairs accompanying cyclic morpholinium cation and alkylphosphite anion based ionic liquids Verma, Prakash L.
 2017
 436-437 C p. 35-52
18 p.
 article
3616 Structure and magnetic properties of Cd9− n Se9Mn n and Cd9− n Se9Fe n clusters (n =0–9) Gutsev, L.G.
 2016
 436-437 C p. 105-114
10 p.
 article
3617 Structure and magnetic properties of Fe12 X clusters Gutsev, G.L.
 2014
 436-437 C p. 62-68
7 p.
 article
3618 Structure and spectroscopy of hydrogen adsorbed in a nickel metal–organic framework Brown, Craig M.
 2013
 436-437 C p. 3-8
6 p.
 article
3619 Structure evolution of mononuclear tungsten and molybdenum species in the protonation process: Insight from FPMD and DFT calculations Zhang, Ning
 2018
 436-437 C p. 77-86
 article
3620 Structure of micelles and micro-emulsions probed through the molecular reorientation of water van Dam, Eliane P.
436-437 C p. 111-115
 article
3621 Structure of PtRu/Ru(0 0 0 1) and AgPd/Pd(1 1 1) surface alloys: A kinetic Monte Carlo study Mahlberg, David
436-437 C p.
 article
3622 Structure of self-assembly amphiphilic systems: Relation between phenomenological parameters and microscopic potential parameters Bretonnet, Jean-Louis
436-437 C p.
 article
3623 Structures and energetics of Be n C n (n =1–5) and Be2 n C n (n =1–4) clusters Fioressi, Silvina E.
 2014
 436-437 C p. 76-86
11 p.
 article
3624 Structures and energetics of clusters surrounding diatomic anions stabilized by hydrogen, halogen, and other noncovalent bonds Scheiner, Steve
436-437 C p.
 article
3625 Structures and properties of metal oxide cluster fullerene Sc2O2@C80 Zhao, Wen-Juan
 2019
 436-437 C p. 179-182
 article
3626 Structures and stabilities of glycine and water complexes Sun, Junyan
 2020
 436-437 C p.
 article
3627 Structures, energetics, and infrared spectra of the cationic monomethylamine clusters Jiang, Shuai
 2019
 436-437 C p. 7-11
 article
3628 Structures, energies, and bonding in the microsolvation of Na+ Ramírez-Rodríguez, Frank
436-437 C p.
 article
3629 Structures of clusters surrounding ions stabilized by hydrogen, halogen, chalcogen, and pnicogen bonds Scheiner, Steve
 2019
 436-437 C p. 55-62
 article
3630 Structures of quasi-freestanding ultra-thin silicon films deposited on chemically inert surfaces Baba, Y.
 2014
 436-437 C p. 1-6
6 p.
 article
3631 Structures, stabilities and electronic properties of Pt-Rh clusters based on DFT and Sutton-Chen potential Wu, Xia
436-437 C p.
 article
3632 Structures, stabilities, and magnetic properties of CoRu binary clusters Sun, Yue-mei
 2015
 436-437 C p. 108-117
 article
3633 Structure, stability, electronic and magnetic properties of monometallic Pd, Pt, and bimetallic Pd-Pt core–shell nanoparticles Xu, Hengyue
436-437 C p.
 article
3634 Structure, temperature effect and bonding order analysis of hydrated bromide clusters Wen, Hui
 2016
 436-437 C p. 129-142
14 p.
 article
3635 Studies of low-frequency intermolecular hydrogen-bonded vibrations using a continuous supersonic slit jet mid-infrared quantum cascade laser spectrometer McElmurry, B.A.
 2012
 436-437 C p. 1-10
10 p.
 article
3636 Studies of the tautomeric equilibrium of 1,3-thiazolidine-2-thione: Theoretical and experimental approaches Abbehausen, Camilla
 2012
 436-437 C p. 62-68
7 p.
 article
3637 Studies on electrical properties of PLD grown BiFeO3 - based layered MFIS heterostructure device Panchasara, Akshay
436-437 C p.
 article
3638 Studies on the interaction of salicylic acid and its monohydroxy substituted derivatives with bovine serum albumin Meng, Deying
436-437 C p.
 article
3639 Study by crossed beams and ab initio techniques of an environmentally interesting process: Gas-phase high energy collisions between N2O(1Σ+) and Li+(1S0) de Andrés, J.
 2015
 436-437 C p. 104-110
7 p.
 article
3640 Studying supercapacitance properties of Mg 3 Si and Ti 3 Si as novel electrode materials: A first-principles study Shirvani, Fatemeh
436-437 C p.
 article
3641 Studying the optical and electronic properties of Eu-doped CdSe phosphors using first principles calculations incorporating the spin orbit coupling method of DFT Ahmad, Salman
436-437 C p.
 article
3642 Studying the spectral diffusion dynamics of chlorophyll a and chlorophyll b using two-dimensional electronic spectroscopy Khyasudeen, M. Faisal
 2019
 436-437 C p.
 article
3643 Study of adsorption and degradation of dimethylphthalate on TiO2-based photocatalysts Pulido Melián, E.
 2016
 436-437 C p. 112-118
7 p.
 article
3644 Study of atomic and molecular oxygen chemisorption on BC3 nanotubes with Stone–Wales defects using density functional theory Jalili, Seifollah
 2014
 436-437 C p. 16-22
7 p.
 article
3645 Study of energy transfer and spectral downshifting in Ce, RE (RE=Nd and Yb) co-doped lanthanum phosphate Sawala, N.S.
 2017
 436-437 C p. 9-12
 article
3646 Study of Fe-doped and glucose-capped CeO2 nanoparticles synthesized by co-precipitation method Shibeshi, Paulos Taddesse
436-437 C p.
 article
3647 Study of ion dynamics of LiI·6H2O in the supercooled liquid state using NMR spectroscopy and ionic conductivity measurements Takekawa, Reiji
436-437 C p.
 article
3648 Study of ionization process of matrix molecules in matrix-assisted laser desorption ionization Murakami, Kazumasa
 2013
 436-437 C p. 37-43
7 p.
 article
3649 Study of molecular orientation steered by few-cycle terahertz pulse Ni, Shuang
436-437 C p.
 article
3650 Study of photo-induced charge transfer properties in Cs3Bi2I9/BiFeO3/TiO2 film Ren, Xuecheng
436-437 C p.
 article
3651 Study of the difference in floatability between quartz and feldspar based on first principles Li, Caixia
436-437 C p.
 article
3652 Study of the electronic structure and absorption spectrum of Co and H doped ZnO by first-principles Hou, Qingyu
 2020
 436-437 C p.
 article
3653 Study of the electronic structure and electron impact excitation cross section of helium impurities in spherical quantum dots Ma, K.
436-437 C p.
 article
3654 Study of the picture change error at the 2nd order Douglas Kroll Hess level of theory. Electron and spin density and structure factors of the Bis[bis(methoxycarbimido) aminato] copper (II) complex Bučinský, Lukáš
 2012
 436-437 C p. 44-53
10 p.
 article
3655 Study of thermoelectric, electronic, thermo-elastic and thermodynamic properties of LiYN (Y = Mg and Ca) half Heusler semiconductors at high-temperature Toual, Y.
436-437 C p.
 article
3656 Study on adjacent radicals short contact interaction, spin density, overlap integral and strong anti-ferromagnetic coupling strength Zheng, Lu-Yi
 2018
 436-437 C p. 10-16
 article
3657 Study on flocculation performance and mechanism of cationic polyacrylamide on montmorillonite: Insights from experiments and molecular simulations Zhang, Lianfeng
436-437 C p.
 article
3658 Study on highly efficient screening of HCl oxidation to Cl2 copper-based catalysts via a zeolite carrier: Performance and mechanism Li, Yanjing
436-437 C p.
 article
3659 Study on photodynamics of furan via strong field multiphoton ionization by velocity map imaging technique Yan, Yihui
436-437 C p.
 article
3660 Study on preparation and performance of electrochemical supercapacitor based on La2O3/CNTs composites for energy storage applications Karthikeyan, S.
436-437 C p.
 article
3661 Study on solvothermal synthesis of Li4Ti4.98Zr0.02O12 and its selectivity for ion exchange Lin, Mengyu
436-437 C p.
 article
3662 Study on the adsorption orientation of DNA on two-dimensional MoS2 surface via molecular dynamics simulation: A vertical orientation phenomenon Liu, Fei
436-437 C p.
 article
3663 Study on the effect of glass transition temperature on fragility parameter in metallic glass-forming liquids Gao, Qian
436-437 C p.
 article
3664 Study on the influence of external stress and temperature on CH4 adsorption and diffusion in coal by molecular dynamic simulation Long, Hang
436-437 C p.
 article
3665 Study on the interaction properties of ionic liquid mixtures with a common anion: A combination of spectral and theoretical study Liu, Shuyan
436-437 C p.
 article
3666 Study on thermal decomposition and combustion mechanism of azobisisobutyronitrile: Combined with TG-DSC-FTIR-GC-MS technology and the ReaxFF molecular dynamics Liu, Jinkun
436-437 C p.
 article
3667 Study on the ultrafast dynamics of o-xylene cation by combined fs-photoelectron imaging-photofragmentation spectroscopy Liu, Yuzhu
 2014
 436-437 C p. 48-52
5 p.
 article
3668 Study on vibrational relaxation dynamics of phenol–water complex by picosecond time-resolved IR-UV pump–probe spectroscopy in a supersonic molecular beam Miyazaki, Yasunori
 2013
 436-437 C p. 205-211
7 p.
 article
3669 Sub-Doppler electronic spectra of the benzene–(He) n complexes Hayashi, Masato
 2013
 436-437 C p. 131-137
7 p.
 article
3670 Subject Index 2012
 436-437 C p. 128-130
3 p.
 article
3671 Submerged carbon arc in deionized water: A green route for scalable preparation of gas containing polyynes Li, Hanran
436-437 C p.
 article
3672 Sub-nanometer-resolution imaging of peptide nanotubes in water using frequency modulation atomic force microscopy Sugihara, Tomoki
 2013
 436-437 C p. 74-77
4 p.
 article
3673 Sub-100-ps structural dynamics of horse heart myoglobin probed by time-resolved X-ray solution scattering Oang, Key Young
 2014
 436-437 C p. 137-142
6 p.
 article
3674 Substituent control of dynamical process for excited state intramolecular proton transfer of benzothiazole derivatives Ji, Sujun
436-437 C p.
 article
3675 Substituent effect on the photoinduced geometrical changes of Cu ( I ) Phen 2 complexes Ramírez-Palma, David I.
436-437 C p.
 article
3676 Substituent effects on furan-phenylene copolymer for photovoltaic improvement: A density functional study Janprapa, Nuttaporn
 2018
 436-437 C p. 60-69
 article
3677 Substituent effects on the nonadiabatic dynamics of ethylene: π -donors and π -acceptors MacDonell, Ryan J.
 2018
 436-437 C p. 360-368
 article
3678 Substituent position effects on sunscreen photodynamics: A closer look at methyl anthranilate Rodrigues, Natércia d.N.
 2018
 436-437 C p. 596-602
 article
3679 Substitutional effect on structural, electrical and electrochemical behaviors of LiMn1.977(Ce, Cu)0.023O4 nanoparticles prepared by sol-gel combustion method Taddesse, Paulos
 2019
 436-437 C p. 260-266
 article
3680 Substitution of phthalocyanines affecting the properties of their films and heterostructures Vertsimakha, Ya.
 2012
 436-437 C p. 16-21
6 p.
 article
3681 Substrate effects on glass formation in simple monatomic supercooled liquids Hoang, Vo Van
 2015
 436-437 C p. 1-9
9 p.
 article
3682 Sub-THz spectroscopic characterization of vibrational modes in artificially designed DNA monocrystal Sizov, Igor
 2013
 436-437 C p. 121-125
5 p.
 article
3683 Superatomic anion Al6O2− and the prospect for cluster assembled crystals Zhang, Zhaoyan
 2019
 436-437 C p.
 article
3684 Superior photocatalytic activity of Cu doped NiWO4 for efficient degradation of benzene in air even under visible radiation Tri, Nguyen Le Minh
 2019
 436-437 C p.
 article
3685 Superior photoelectrochemical properties of ZnO nanorods/poly(3-hexylthiophene) hybrid photoanodes Majumder, T.
 2017
 436-437 C p. 1-6
6 p.
 article
3686 Super phase transition and super metastable state Ibrahimoglu, Beycan
436-437 C p.
 article
3687 Supersonic beams of mixed gases: A method for studying cold collisions Perreault, William E.
 2018
 436-437 C p. 150-153
 article
3688 Superspin relaxation in Fe3O4/hexane magnetic fluids: A dynamic susceptibility study Botez, Cristian E.
 2012
 436-437 C p. 89-93
5 p.
 article
3689 Supertetrahedraphene: A novel quasi 2D carbon allotrope with controllable thickness and electronic properties Yuan, Yuan
436-437 C p.
 article
3690 Surface-active ionic liquids as drug carriers: A physico-chemical study Nadeem Asghar, Muhammad
436-437 C p.
 article
3691 Surface and interface effects on non-radiative exciton recombination and relaxation dynamics in CdSe/Cd,Zn,S nanocrystals Walsh, Brenna R.
 2016
 436-437 C p. 11-17
 article
3692 Surface electrical discharges and plasma formation on electrolyte solutions Morgan, W.L.
 2012
 436-437 C p. 255-261
7 p.
 article
3693 Surface hopping from the perspective of quantum–classical Liouville dynamics Kapral, Raymond
 2016
 436-437 C p. 77-83
7 p.
 article
3694 Surface plasmon assisted electron acceleration in photoemission from gold nanopillars Nagel , Phillip M.
 2013
 436-437 C p. 106-111
6 p.
 article
3695 Surface polarity controls the optical properties of one-pot synthesized silicon quantum dots Mai, Van-Tuan
 2019
 436-437 C p. 107-111
 article
3696 Surface tension of cavities and Tolman’s length in n-alkanes. A positron study Zgardzińska, Bożena
 2013
 436-437 C p. 1-5
5 p.
 article
3697 Surface transformation and interactions of iron oxide in glassy lubricant: An ab initio study Le, M.H.
436-437 C p.
 article
3698 Surfactant molecules to promote removal of cadmium ions from solid surfaces: A complementary experimental-simulational study Pacheco-Blas, María del Alba
 2017
 436-437 C p. 13-21
 article
3699 Surprisal analysis of diffusion processes Saravanan, Rajendran
436-437 C p.
 article
3700 Surprisal analysis of the transcriptomic response of the green microalga Chlamydomonas to the addition of acetate during day/night cycles Willamme, R.
 2018
 436-437 C p. 154-163
 article
3701 S vacancy enhanced ferromagnetism in Mn-doped monolayer MoS2: A hybrid functional study Han, Xiaoping
436-437 C p.
 article
3702 Swelling pressure of Na- and Ca-montmorillonites in saline environments: A molecular dynamics study Akinwunmi, Bukunmi
 2020
 436-437 C p.
 article
3703 Switching among logic XNOR, IMPLICATION and INHIBIT gates at molecular level and selectively sensing of Cu2+ Ekmekci, Z.
436-437 C p.
 article
3704 Switching and oscillation of current along quinone based molecular device with graphene electrodes Bian, Baoan
 2018
 436-437 C p. 27-32
 article
3705 Switching of n- and p-type doping with partial pressure of oxygen gas on few layers MoS2-field effect transistor Shamim Al Mamun, Muhammad
436-437 C p.
 article
3706 Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions Ehara, Masahiro
 2012
 436-437 C p. 94-110
17 p.
 article
3707 Symmetry-induced kinetic isotope effects in the dissociation dynamics of CHCl3 + and CHCl4 − Petersen, Allan Christian
 2018
 436-437 C p. 375-380
 article
3708 Synergistic catalysis of Fe3O4/CuO bimetallic catalyst derived from Prussian blue analogues for the efficient decomposition of various organic pollutants Akram, Naeem
436-437 C p.
 article
3709 Synergistic integration of BaBiO3 and rGO nanocomposite electrode for enhancing energy storage performance Abdelmohsen, Shaimaa A.M.
436-437 C p.
 article
3710 Synergistic photocatalytic degradation of TC-HCl by MIL-53(Fe)/CoWO4 composite and PMS under visible light Liu, Qian
436-437 C p.
 article
3711 Synthesis and anodic performance of TiO2-carbonized PAN electrode for lithium ion batteries Shen, Xueyang
436-437 C p.
 article
3712 Synthesis and characterization of PTP/[Fe(CN)3(dien)]·H2O nanocomposite; study of electrical, thermal and photocatalytic properties Moosvi, Syed Kazim
 2016
 436-437 C p. 110-117
8 p.
 article
3713 Synthesis and optical characterization of lanthanide-doped colloidal Ga2O3 nanoparticles Wawrzynczyk, Dominika
 2015
 436-437 C p. 73-78
6 p.
 article
3714 Synthesis and physical properties of new 1,6-diazabicyclo[4.1.0]heptanes: Quantum-chemistry calculations and crystal structures simulations Kuznetsov, V.V.
436-437 C p.
 article
3715 Synthesis and properties of ZnO on nonwoven PET fiber Dai, Shen-Hua
436-437 C p.
 article
3716 Synthesis and stockpile of polyynes in paraffin as well as extraction for preparing single-walled carbon nanowires (LLCCs@SWCNTs) Luo, Tao
436-437 C p.
 article
3717 Synthesis and structure of calcium-tin hybrid microparticles from egg shell and investigation of their thermal behavior and catalytic application Khan, Shanza Rauf
436-437 C p.
 article
3718 Synthesis, characterisation and study of thermal, electrical and photocatalytic activity of nanocomposite of PANI with [Co(NH3)4 (C12H8N2)] Cl3·5H2O photoadduct Naqash, Waseem
 2016
 436-437 C p. 118-125
8 p.
 article
3719 Synthesis, characterization and DFT calculations of electronic and optical properties of YbPO4 Khadraoui, Z.
 2015
 436-437 C p. 37-42
6 p.
 article
3720 Synthesis, characterization and electrocatalytic activity of SnO2, Pt–SnO2 thin films for methanol oxidation Jana, Sumanta
 2014
 436-437 C p. 44-48
5 p.
 article
3721 Synthesis, characterization and growth mechanism of carbon nanopears Wang, Chen
436-437 C p.
 article
3722 Synthesis, characterization and spectroscopic studies of surfactant loaded antiulcer drug into Chitosan nanoparticles for interaction with bovine serum albumin Qashqoosh, Mohsen T.A.
 2019
 436-437 C p.
 article
3723 Synthesis, characterization, optical and magnetic properties of pure and Mn, Fe and Zn doped NiO nanoparticles Al Boukhari, J.
436-437 C p. 116-124
 article
3724 Synthesis, electrochemistry, STM investigation of oligothiophene self-assemblies with superior structural order and electronic properties Kuo, Cheng-Yu
 2016
 436-437 C p. 191-197
7 p.
 article
3725 Synthesis, in-Silico investigations, molecular docking, ADMET, and anti-lung cancer activity studies of 1,2,4,5-tetraazaspiro[5.5]undecane-3-thione Ghous, Faraz
436-437 C p.
 article
3726 Synthesis of an A-D-A type of molecule used as electron acceptor for improving charge transfer in organic solar cells Zhang, Chao-Zhi
 2016
 436-437 C p. 104-111
8 p.
 article
3727 Synthesis of a new FeMoO4/AgI nanocomposite for enhanced RhB degradation under visible light Arumugam, Swaminathan
436-437 C p.
 article
3728 Synthesis of a novel axially substituted silicon phthalocyanine sensitizer for efficient singlet oxygen generation by comparing PDT and SPDT studies Gümrükçü Köse, Gülşah
436-437 C p.
 article
3729 Synthesis of cesium, sodium and nitrogen derived titanates using the Pechini sol-gel method Mastoroudes, Bruce C.
436-437 C p.
 article
3730 Synthesis of cubic Mn2O3 and its catalytic performance in activating peroxymonosulfate for degradation of MB He, Qi
436-437 C p.
 article
3731 Synthesis of Cu2CO3(OH)2/SnO2@GO composite as novel anode material for lithium ion battery application Quan, Shugui
436-437 C p.
 article
3732 Synthesis of hierarchical flower-like Co3O4 superstructure and its excellent catalytic property for ammonium perchlorate decomposition Li, Gang
436-437 C p. 45-51
 article
3733 Synthesis of MnCl2 and VCl2 doped CH3NH3PbI3 for low operating voltage resistive switching memory devices Ojha, Saurav K.
436-437 C p.
 article
3734 Synthesis of novel visible light assisted Pt doped zinc vanadate (Pt/Zn4V2O9) for enhanced photocatalytic properties Sajid, Muhammad Munir
436-437 C p.
 article
3735 Synthesis of porous vanadium sesquioxide by thermal decomposition method and its performance as anode for lithium-ion batteries Hu, Yanyan
436-437 C p.
 article
3736 Synthesis of sphene by TiO2 combined with CaCO3 and SiO2 in solid phase and its application as ceramic opacifier Li, Yangzi
436-437 C p.
 article
3737 Synthesis of tetramethylpiperidine 1-oxyl-based functional ionic liquids (FTILs), volumetric properties and thermodynamics of the activation for viscous flow of (FTILs + water) binary systems Wang, Zhixia
436-437 C p.
 article
3738 Synthesis of TiO2-CNT hybrid nanocatalyst and its application in direct oxidation of H2S to S Daraee, Maryam
 2018
 436-437 C p. 7-19
 article
3739 Synthesis of water-resistant hybrid geopolymer composites using polydimethylsiloxane and triethoxysilane Naz Gul, Shehla
436-437 C p.
 article
3740 Synthesis, spectroscopic characterization and molecular docking study of ethyl 2-(4-(5, 9-dihydro-6-hydroxy-2-mercapto-4H-purin-8-ylthio) thiophen-2-yl)-2-oxoacetate molecule for the chemotherapeutic treatment of breast cancer cells Ragavan, Iruthayaraj
436-437 C p.
 article
3741 Synthesis, spectroscopic characterization and theoretical studies of (4-boronobenzoyl)serine Dikmen, Gökhan
436-437 C p.
 article
3742 Systematical study on the electronic properties of monoazaphenanthrene compounds by theoretical calculations and experimental observations Hamamoto, Nobutsugu
436-437 C p.
 article
3743 Tactfully regulating the ESIPT mechanism of novel benzazolyl-4-quinolones fluorophore by atomic electronegativity Zhang, Qingqing
436-437 C p.
 article
3744 Tailored auto-combustion synthesis and optical and structural characterization of TiO2:Dy3+(1–11 mol%) nanostructures for wLED and latent finger print applications Venkatesha Babu, K.R.
436-437 C p.
 article
3745 Tailoring of band gap to tune the optical and thermoelectric properties of Sr1-xBaxSnO3 stannates for clean energy; probed by DFT Umm-e-Hani,
436-437 C p.
 article
3746 Tailoring synthesis conditions for [(Ba0.85Ca0.15)0.995Nd0.005](Ti0.9Hf0.1)O3 nanopowders by hydrothermal method and their luminescence properties He, Xiyue
436-437 C p.
 article
3747 Tailoring the electronic and optical properties of CsAuCl₃ via rare-earth doping: A GGA + U + SOC DFT study for phosphor-converted LEDs and advanced optoelectronic applications Ahmad, Salman
436-437 C p.
 article
3748 Tailoring the physical properties of InSnX3 (X = F, Cl) perovskites via pressure: A path toward sustainable optoelectronics Das, Ovijit
436-437 C p.
 article
3749 Taming the escape dynamics of nonadiabatic time-periodically driven quantum dissipative system within the frame of Wigner formalism Shit, Anindita
 2014
 436-437 C p. 26-38
13 p.
 article
3750 Tangent space formulation of the Multi-Configuration Time-Dependent Hartree equations of motion: The projector–splitting algorithm revisited Bonfanti, Matteo
 2018
 436-437 C p. 252-261
 article
3751 Tautomeric equilibrium of creatinine and creatininium cation in aqueous solutions explored by Raman spectroscopy and density functional theory calculations Gao, Jiao
 2013
 436-437 C p. 81-89
9 p.
 article
3752 Tautomeric forms of PPI dendrimers functionalized with 4-(4′-ethoxybenzoyloxy)salicylaldehyde chromophores Franckevičius, M.
 2012
 436-437 C p. 2-8
7 p.
 article
3753 Tautomeric preferences of the cis and trans isomers of axitinib Mirzaei, M. Saeed
 2018
 436-437 C p. 10-18
 article
3754 TD-carbon: A new face-centered cubic carbon allotrope Cao, Yu
436-437 C p.
 article
3755 TD-DFT and DFT/MRCI study of electronic excitations in Violaxanthin and Zeaxanthin Götze, Jan Philipp
 2013
 436-437 C p. 247-255
9 p.
 article
3756 TDDFT investigation of solvent polarity related excited state intramolecular proton transfer in 2-(4′-hydroxyphenyl)-3-hydroxybenzo[g]quinolone Zhao, Jinfeng
436-437 C p.
 article
3757 TDDFT investigation on the solvent effect of methanol on the electronic structure and luminescence of metal organic framework CdL2 Deng, Tianyu
 2019
 436-437 C p. 70-74
 article
3758 Temperature dependence of gas-phase conformations for ubiquitin ions characterized by proton transfer reactions Nonose, Shinji
 2013
 436-437 C p. 237-245
9 p.
 article
3759 Temperature dependence of physical properties of soft matters on the oscillating solid-liquid interface Yoshimoto, Minoru
 2019
 436-437 C p. 87-91
 article
3760 Temperature dependence of the internal dynamics of a protein in an aqueous solvent: Decoupling from the solvent viscosity Mamontov, E.
 2013
 436-437 C p. 12-19
8 p.
 article
3761 Temperature dependence of the proton kinetic energy in water between 5 and 673K Finkelstein, Y.
 2014
 436-437 C p. 58-63
6 p.
 article
3762 Temperature dependence of the spin relaxation time of Fe3O4 and hemozoin superparamagnetic nanocrystals Khmelinskii, I.
 2017
 436-437 C p. 120-132
13 p.
 article
3763 Temperature dependence of the zero point kinetic energy in ice and water above room temperature Senesi, R.
 2013
 436-437 C p. 111-116
6 p.
 article
3764 Temperature-dependent surface tension model in many-body dissipative particle dynamics with energy conservation Cao, Damin
436-437 C p.
 article
3765 Temperature effect on ion selectivity of potassium and sodium ions in solution Tang, Dai
 2014
 436-437 C p. 14-18
5 p.
 article
3766 Temperature effects on hydrophobic interactions: Implications for protein unfolding Sun, Qiang
436-437 C p.
 article
3767 Temporal behavior of line-to-continuum ratios and ion fractions as a means of assessing thermodynamic equilibrium in laser-induced breakdown spectroscopy Moon, Heh-Young
 2012
 436-437 C p. 221-227
7 p.
 article
3768 Temporal evolution of an ion pair with a perfectly reflecting recombination sphere Tyutnev, A.P.
 2015
 436-437 C p. 47-51
5 p.
 article
3769 Tensile and compressive behavior of Na-, K-, Ca-Montmorillonite and temperature effects Zhao, Honghua
436-437 C p.
 article
3770 Terahertz spectroscopic study on order–disorder phase transition of nonadecane Tanno, Takenori
 2015
 436-437 C p. 25-28
4 p.
 article
3771 Terahertz time domain spectroscopy of epoxy resin composite with various carbon inclusions Macutkevic, J.
 2012
 436-437 C p. 129-135
7 p.
 article
3772 Ternary and quaternary Lennard-Jones atomic clusters: The effects of atomic sizes on the compositions, geometries, and relative stability Takeuchi, Hiroshi
 2015
 436-437 C p. 106-113
8 p.
 article
3773 Ternary graphene/amorphous carbon/nickel nanocomposite film for outstanding superhydrophobicity Zhu, Xiaobo
 2018
 436-437 C p. 19-25
 article
3774 Ternary NiCoP urchin like 3D nanostructure supported on nickel foam as a catalyst for hydrogen generation of alkaline NaBH4 Pornea, Arni M.
436-437 C p. 152-159
 article
3775 Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone Accomasso, Davide
 2018
 436-437 C p. 635-642
 article
3776 Test particles in a gas: Markovian and non-Markovian Langevin dynamics Ferrari, Leonardo
 2019
 436-437 C p. 42-51
 article
3777 Tests of a generalized Barker-Henderson perturbation theory for the phase coexistence diagram of an anisotropic potential Kumari, Bina
436-437 C p.
 article
3778 The acid-base character of interactions between xenon and selected carboxylic and sulfonic acids Gąszowski, Dawid
 2017
 436-437 C p. 22-27
 article
3779 The activity and selectivity in CO2 to HCOOH conversion on TM-G-N4 with axially coordinated nonmetal Wang, Wenjie
436-437 C p.
 article
3780 The adsorption activity and mechanism of common tourmalines for typical anionic and cationic dyes He, Huichao
436-437 C p.
 article
3781 The adsorption of tetracycline, ciprofloxacin on reduced graphene oxide surfaces: Role of intermolecular interaction Ngoc Tri, Nguyen
436-437 C p.
 article
3782 The A g + state falls below 3 A g - at carotenoid-relevant conjugation lengths Taffet, Elliot J.
 2018
 436-437 C p. 757-767
 article
3783 The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides Larki, Samaneh
 2019
 436-437 C p.
 article
3784 The analysis of charge transport mechanism in molecular junctions based on current-voltage characteristics Song, Xianneng
 2020
 436-437 C p.
 article
3785 The application of inelastic neutron scattering to investigate the steam reforming of methane over an alumina-supported nickel catalyst McFarlane, Andrew R.
 2013
 436-437 C p. 54-60
7 p.
 article
3786 The azido oxide N3O de Petris, Giulia
 2012
 436-437 C p. 129-133
5 p.
 article
3787 The π back-donation influence in CO oxidation on small and oxidized Au–Ag clusters García-Cruz, Raúl
436-437 C p.
 article
3788 The basic structural motif and major biophysical properties of Amyloid-β are encoded in the fragment 18–35 Chandrakesan, Muralidharan
 2013
 436-437 C p. 80-87
8 p.
 article
3789 The bimolecular catalytic transformation of methyl vinyl ketone oxide: A DFT study Elayan, Ismael A.
436-437 C p.
 article
3790 The binding of small carbazole derivative (P7C3) to protofibrils of the Alzheimer’s disease and β-secretase: Molecular dynamics simulation studies Faghih, Zeinab
 2015
 436-437 C p. 31-39
9 p.
 article
3791 The calculation of zero-field splitting parameters for Fe3+ ions doped in rutile TiO2 crystal by superposition model analysis Acikgoz, Muhammed
 2012
 436-437 C p. 83-90
8 p.
 article
3792 The calculations of quenching rate coefficients of O2(b1 g +, v) in collisions with O2, N2, CO, CO2 molecules Kirillov, A.S.
 2013
 436-437 C p. 103-108
6 p.
 article
3793 The catalytic role of the water or acidic zeolite in the oxidation of BrCH2OH. A theoretical study Papayannis, Demetrios K.
 2016
 436-437 C p. 53-62
10 p.
 article
3794 The charge and spin density of five LaBO3 perovskites (B=Sc, Ti, V, Cr and Co). A Mulliken analysis El-Kelany, Khaled E.
436-437 C p.
 article
3795 The chemistry of Coulomb blockade diamonds for 1,4-diamino-benzene Olsen, Stine T.
 2015
 436-437 C p. 40-44
5 p.
 article
3796 The coalescence of heterogeneous liquid metal on nano substrate Wang, Long
 2017
 436-437 C p. 62-66
5 p.
 article
3797 The collision He(11S)+Ne+ ℏ ω → He(21S)+Ne at low energies: The effect of polarization on differential and total cross sections in quantum mechanical and uniform quasi-classical approaches Devdariani, A.
 2015
 436-437 C p. 12-16
5 p.
 article
3798 The competitive formation mechanism of N-nitrosodimethylamine and formaldehyde dimethylhydrazone from 1,1-dimethylhydrazine during ozonation in air: A combined theoretical and experimental study Huang, Dan
 2019
 436-437 C p. 220-227
 article
3799 The complex-scaled multiconfigurational spin-tensor electron propagator method for low-lying shape resonances in Be−, Mg− and Ca− Tsogbayar, Tsednee
 2017
 436-437 C p. 201-207
 article
3800 The concentration limit of stability for individual gold nanoparticles in aqueous colloid during water evaporation Dikovskaya, Anastasia O.
436-437 C p.
 article
3801 The π-conjugation length determines the fluorescence quenching mechanism of aromatic aldehydes in water Fletcher, Katharyn
 2018
 436-437 C p. 710-718
 article
3802 The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces Kou, Zhuangfei
 2012
 436-437 C p. 113-118
6 p.
 article
3803 The density profiles of N2( A 3 Σ u + ) and N2( a ′ Σ u - ) in the Pink Afterglow of the DC nitrogen flowing discharge Levaton, J.
 2014
 436-437 C p. 1-8
8 p.
 article
3804 The dependence of hydrophobic interactions on solute size Sun, Q.
436-437 C p. 199-205
 article
3805 The design and performance of a velocity map imaging spectrometer for the study of molecular photoionisation dynamics Holland, D.M.P.
 2012
 436-437 C p. 11-22
12 p.
 article
3806 The diatomic dication SiC2+ in the gas phase Pis Diez, Reinaldo
 2015
 436-437 C p. 41-47
7 p.
 article
3807 The differences and cooperativity between Ge (Sn)…O tetrel bonds and X (X = F, Cl, Br, and I) …O halogen bonds Li, Yuchun
436-437 C p.
 article
3808 The DNA nucleobase thymine in motion – Intersystem crossing simulated with surface hopping Mai, Sebastian
 2017
 436-437 C p. 9-15
 article
3809 The dynamic competition mechanism between the topologically close-packed and BCC structures during crystallization of undercooled zirconium Mo, Yunfei
436-437 C p.
 article
3810 The effect of alkyl chain length on imidazole chloroaluminate ionic liquid/Pt(111) interface and aluminum deposition: A DFT-D3 study Du, Huanhuan
436-437 C p.
 article
3811 The effect of autoionization on the HBr+ X 2Π3/2,1/2 state photoelectron angular distributions Hrodmarsson, H.R.
436-437 C p.
 article
3812 The effect of CdS on the charge separation and recombination dynamics in PbS/CdS double-layered quantum dot sensitized solar cells Sato, Koki
 2016
 436-437 C p. 159-163
5 p.
 article
3813 The effect of different disulfide connectivity patterns on hepcidin structure: Investigated by molecular dynamics simulation Yu, Chunyan
436-437 C p.
 article
3814 The effect of dispersion damping functions on the structure of water clusters Hernández-Rojas, J.
 2014
 436-437 C p. 23-29
7 p.
 article
3815 The effect of heavy and light electronic bands on thermoelectric properties of Mg2Si1-xSnx alloys: Insights from an ab-initio study El Goutni, M.E.
436-437 C p.
 article
3816 The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster Lischka, Hans
 2018
 436-437 C p. 472-479
 article
3817 The effect of hydrophobicity on the dissolution of surfactant lamellar phases Al-Jabri, Mitha
436-437 C p.
 article
3818 The effect of impurity on the separation of CO2 from N2 by MCM-41: A simulation study Salestan, Saeed Khoshhal
 2019
 436-437 C p. 124-130
 article
3819 The effect of initial rotation in the N(2D)+H2 →NH(3Σ−)+H reaction Karabulut, Ezman
 2014
 436-437 C p. 53-58
6 p.
 article
3820 The effect of large autoionization decay rates (resonance widths) on cold molecular cross-sections and the reflection phenomenon Ben-Asher, Anael
 2018
 436-437 C p. 88-93
 article
3821 The effect of laser pulse bandwidth on the measurement of the frequency fluctuation correlation functions in 2D electronic spectroscopy Nowakowski, Paweł J.
 2018
 436-437 C p. 214-220
 article
3822 The effect of laser repetition rate in second harmonic generation imaging and intensity detection Li, Bifei
436-437 C p.
 article
3823 The effect of light-induced conical intersections on the alignment of diatomic molecules Halász, Gábor J.
 2012
 436-437 C p. 146-150
5 p.
 article
3824 The effect of oxygen atom substitution in the sulphur sites of the bulk ZnS: A DFT study Es-Smairi, Adil
436-437 C p.
 article
3825 The effect of side group on the dynamic behavior of anthracyclines on DOPG lipid membranes revealed by second harmonic generation and fluorescence Hou, Yi
436-437 C p.
 article
3826 The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex Schulze, Jan
 2017
 436-437 C p. 10-16
7 p.
 article
3827 The effect of spatial confinement on the noble-gas HArF molecule: structure and electric properties Kozłowska, Justyna
 2014
 436-437 C p. 83-92
10 p.
 article
3828 The effect of substituents on energy splitting in organic radicals: Quantitative cognizance from ab initio studies Chattopadhyay, Sudip
436-437 C p. 230-240
 article
3829 The effect of varied pH on the luminescence characteristics of antibody–mercaptoacetic acid conjugated ZnS nanowires Chaudhry, Madeeha
 2017
 436-437 C p. 24-31
8 p.
 article
3830 The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids Zolghadr, Amin Reza
 2016
 436-437 C p. 23-31
9 p.
 article
3831 The effects and mechanism of the magnetic field on the hydrogen abstraction reaction of benzophenone and isopropanol Dai, Ning
436-437 C p.
 article
3832 The effects of electron-phonon coupling and magnetic field on charge structure factors of armchair graphene nanoribbons Rezania, H.
436-437 C p.
 article
3833 The effects of inorganic surface treatments on photogenerated carrier mobility and lifetime in PbSe quantum dot thin films Goodwin, E.D.
 2016
 436-437 C p. 81-88
 article
3834 The effects of the applied current and the measurement temperature on the negative differential resistance behaviour of carbonized xerogel Najeh, I.
 2019
 436-437 C p. 85-91
 article
3835 The effects of TMDD-PA concentration on roughness of Si 〈1 1 0〉 and etching rate ratio of Si 〈1 1 0〉/〈1 1 1〉 in alkaline KOH solution Zhu, Chunlin
436-437 C p.
 article
3836 The electric fields enhance the non-covalent intermolecular interaction between H 2 and (MgO) 3 Yin, Yue-Hong
436-437 C p.
 article
3837 The electronic and optical absorption properties of pristine, homo and hetero Bi-nanoclusters El-Mansy, M.A.M.
436-437 C p.
 article
3838 The electronic spectra and the structures of the individual copper(II) chloride and bromide complexes in acetonitrile according to steady-state absorption spectroscopy and DFT/TD-DFT calculations Olshin, Pavel K.
 2018
 436-437 C p. 14-19
 article
3839 The electronic stability decrease in the BF4– n ( R ) n - anions (R=CH3, C2H5; n =0–4) Sieradzan, Iwona
 2013
 436-437 C p. 55-61
7 p.
 article
3840 The enzymatic reaction catalyzed by lactate dehydrogenase exhibits one dominant reaction path Masterson, Jean E.
 2014
 436-437 C p. 132-136
5 p.
 article
3841 The equivalent electric conductivity of hydrochloric acid in solvents of lower permittivity than water, and its interrelation with the acid’s activity coefficient: A theoretical analysis Fraenkel, Dan
436-437 C p.
 article
3842 The estimation of the second virial coefficients of He and N2 based on neural network potentials with quantum mechanical calculations Kwon, Taejin
436-437 C p.
 article
3843 The exact wavefunction of interacting N degrees of freedom as a product of N single-degree-of-freedom wavefunctions Cederbaum, Lorenz S.
 2015
 436-437 C p. 129-132
4 p.
 article
3844 The excited state behaviors of 3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methoxybenzaldehyde system in aprotic solvents Li, Junyu
436-437 C p.
 article
3845 The excited-states intermolecular potential energy surfaces of the Ar–CS2 van der Waals complex: Ab initio study Farrokhpour, H.
 2014
 436-437 C p. 8-17
10 p.
 article
3846 The excited states of K3 cluster: The molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix Mukherjee, Saikat
 2014
 436-437 C p. 106-118
13 p.
 article
3847 The excited-state structure and photophysics of isolated acenaphthylene Flock, Marco
 2018
 436-437 C p. 744-749
 article
3848 The fabrication of excitation-dependent fluorescence boron/nitrogen co-doped carbon quantum dots and their employment in bioimaging Karadag, Sugra Naz
436-437 C p.
 article
3849 The Generalized Coherent State ansatz: Application to quantum electron-vibrational dynamics Borrelli, Raffaele
 2016
 436-437 C p. 91-98
8 p.
 article
3850 The global potential energy surface of the RbH2 system and dynamics studies of the H + RbH → Rb + H2 reaction Zhang, Yong
436-437 C p.
 article
3851 The graphene-supported non-noble metal catalysts activate ammonia decomposition: A DFT study Miao, Meng
436-437 C p.
 article
3852 The ground state properties of two dimensional Fermi gas system confined in a potential composed of harmonic and a Gaussian terms Gülveren, Berna
 2019
 436-437 C p. 48-53
 article
3853 The growth model and electronic properties of single- and double-walled zigzag silicon nanotubes: Depending on the structures Lin, Xiang
 2017
 436-437 C p. 156-164
9 p.
 article
3854 The halogen ⋯ oxygen interaction in 3-halogenopropenal revisited – The dimer model vs. QTAIM indications Jabłoński , Mirosław
 2013
 436-437 C p. 207-213
7 p.
 article
3855 The H4 model revisited within the framework of the G-particle-hole Hypervirial equation Valdemoro, Carmela
 2012
 436-437 C p. 59-64
6 p.
 article
3856 The hydration of periclase: Atomistic insights from quantum-chemical look Asaduzzaman, Abu
436-437 C p.
 article
3857 The hydrogen atom in the momentum representation; a critique of the variables comprising the momentum representation Lombardi, J.R.
436-437 C p.
 article
3858 The Impact of Chemical Modifications on The Ionic Conductivity of Ionic Liquid Encapsulated in Carbon Nanotubes, Potential Application in Aluminum Ion Battery Taherkhani, Farid
436-437 C p.
 article
3859 The inextricable links among adjacency matrix, incidence matrix, and topological indices Manivannan, P.
436-437 C p.
 article
3860 The influence of autoionizing Rydberg states on the H2 + X 2Σg + v+ =0,1,2 state rotationally resolved photoelectron angular distributions and branching ratios Holland, D.M.P.
 2014
 436-437 C p. 109-120
12 p.
 article
3861 The influence of double lanthanide metal atoms on the stability of germanium-based clusters Jiang, Long-Ying
436-437 C p.
 article
3862 The influence of ion-implantation on the effective Schottky barrier height of NiGe/n-Ge contacts Tang, Mengrao
436-437 C p.
 article
3863 The influence of minor Mg doping on the physical properties of CdTe: A DFT study Zhang, Caihua
436-437 C p.
 article
3864 The influence of molecular pre-orientation on the resonance-enhanced multi-photon ionization dynamics Zhang, Xiao-Miao
 2017
 436-437 C p. 35-44
 article
3865 The influence of negative charged centers on the hole transport in a typical molecularly doped polymer Tyutnev, Andrey P.
 2014
 436-437 C p. 51-57
7 p.
 article
3866 The influence of the type of substituents and the solvent on the interactions between different coumarins and selected TEMPO analogues – Fluorescence quenching studies Żamojć, Krzysztof
436-437 C p. 188-194
 article
3867 The infrared spectra of nonplanar polycyclic aromatic hydrocarbons with five- or seven-membered rings Bauschlicher Jr., Charles W.
 2015
 436-437 C p. 43-52
 article
3868 The infrared spectra of polycyclic aromatic hydrocarbons with C n H m side groups Bauschlicher Jr., Charles W.
 2016
 436-437 C p. 17-27
11 p.
 article
3869 The infrared spectrum of propyne in the range 6200–6700cm−1 Villa, Mattia
 2012
 436-437 C p. 14-21
8 p.
 article
3870 The inhibitory mechanism of l-lysine hydrochloride on the ice crystals growth by molecular dynamics Li, Daixi
436-437 C p.
 article
3871 The in-plane spin helicity of coplanar helical spin configurations of frustrated single trimer V3 and Cu3 nanomagnets, inversion (switching) of spin helicity Belinsky, Moisey I.
 2019
 436-437 C p. 267-278
 article
3872 The interaction between chitosan and tannic acid calculated based on the density functional theory An, Xiaojiao
 2019
 436-437 C p. 100-107
 article
3873 The Ising model of confined water in CNT Turaeva, Nigora N.
436-437 C p. 83-85
 article
3874 The isomorphic dynamic properties of biomolecular matters and glass-forming materials Capaccioli, Simone
436-437 C p.
 article
3875 The Isotope effect study on the thermal chiral rate of complexes formed by hydrogen peroxide and noble gases Silva, Hugo Teolfe Felipe
436-437 C p.
 article
3876 The Kerr effect and nonlinear dielectric effect in the vicinity of the isotropic to anti-ferroelectric B 2 phase transition in banana shaped molecules Mukherjee, Prabir K.
 2012
 436-437 C p. 67-70
4 p.
 article
3877 The light-harvesting complex 2 of Allochromatium vinosum: B800 absorption band splitting and exciton relaxation Liu, Xiaomeng
 2019
 436-437 C p.
 article
3878 The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb) Jing, Qun
 2015
 436-437 C p. 42-46
5 p.
 article
3879 The Lord Armstrong's experiment in the view of band theory of liquid water Shimkevich, Alexander
 2018
 436-437 C p. 45-50
 article
3880 The lowest quartet-state of the ketenyl (HCCO) radical: Collision-induced intersystem crossing and the ν 2 vibrational mode Wilhelm, Michael J.
 2013
 436-437 C p. 290-296
7 p.
 article
3881 The low-lying electronic states of YO2 − and YO2: A computational study Chou, Yung-Ching
436-437 C p.
 article
3882 The LXCat project: Electron scattering cross sections and swarm parameters for low temperature plasma modeling Pancheshnyi, S.
 2012
 436-437 C p. 148-153
6 p.
 article
3883 The mechanism of easier desorption of Fe atoms on the (100) surface of LiFePO4 and FePO4 Zhong, Kaifu
436-437 C p.
 article
3884 The melting curves of tin, uranium, cadmium, thallium and indium metals under pressure Nghia, Nguyen Van
436-437 C p.
 article
3885 The microscopic structure deformation and vibration spectra resolving of β-HMX under high temperature:A theoretical study based on AIMD simulation Huang, Yao-Yao
436-437 C p.
 article
3886 The momentum representation of the hydrogen atom in paraboloidal coordinates Lombardi, John R.
436-437 C p.
 article
3887 The multi-configurational time-dependent Hartree approach in optimized second quantization: Thermal ensembles and statistical sampling Weike, Thomas
436-437 C p.
 article
3888 The multiplet electronic structure of UO+ ion: Relativistic two-component ab initio approach Roy, Soumendra K.
 2019
 436-437 C p. 75-82
 article
3889 The nature of intramolecular hydrogen bond in Naphthazarin Afshar Ghahremani, Fatemeh
436-437 C p.
 article
3890 The nature of paramagnetic defects in tin (IV) oxide Ivanovskaya, M.
 2015
 436-437 C p. 98-105
8 p.
 article
3891 The optimized orbital coupled cluster doubles method and optical rotation Lindh, Grant D.
 2012
 436-437 C p. 125-129
5 p.
 article
3892 Theoretical analysis of the drift and diffusion of charge carriers in thin layers of organic crystals Nikerov, D.V.
 2019
 436-437 C p. 1-5
 article
3893 Theoretical analysis of the geometrical isotope effect on the hydrogen bonds in photoactive yellow protein with multi-component density functional theory Kita, Yukiumi
 2013
 436-437 C p. 50-53
4 p.
 article
3894 Theoretical analysis of the spodium bonds in HgCl2⋯L (L = ClR, SR2, and PR3) dimers Xia, Tao
436-437 C p.
 article
3895 Theoretical analysis of the stabilization of graphene nanosheets by means of strongly polarized pyrene derivatives Silva, Nadeesha J.
 2019
 436-437 C p.
 article
3896 Theoretical and experimental investigation of carnosine and its oxygenated adducts. The reaction with the nickel ion Pavlos, Dimitrios
 2015
 436-437 C p. 63-73
11 p.
 article
3897 Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clusters Fasshauer, Elke
 2017
 436-437 C p. 226-238
 article
3898 Theoretical and experimental investigation on the stability of C n =1–6H− and C n =1–4H x + clusters Fantuzzi, Felipe
 2013
 436-437 C p. 109-117
9 p.
 article
3899 Theoretical and experimental photocatalytic implications of Co ions upon the SrTiO3 lattice Riemke, Fábio C.
436-437 C p.
 article
3900 Theoretical and experimental studies on the electronic, optical, and structural properties of poly-pyrrole-2-carboxylic acid films Foschini, Mauricio
 2013
 436-437 C p. 91-95
5 p.
 article
3901 Theoretical and experimental study of electron-deficient core substitution effect of diketopyrrolopyrrole derivatives on optoelectrical and charge transport properties Ding, Guodong
 2018
 436-437 C p. 67-73
 article
3902 Theoretical and numerical study of transport collision integrals: Application to O ( 3 P ) – O ( 3 P ) interaction Mahfouf, A.
 2017
 436-437 C p. 1-10
10 p.
 article
3903 Theoretical assignment of the Clements bands of SO2 Lévêque, Camille
 2015
 436-437 C p. 135-143
9 p.
 article
3904 Theoretical calculation of infrared band transitions of the Pb2 molecule Xiao, Lidan
436-437 C p.
 article
3905 Theoretical calculation of single-atom supported BN catalyzing CO2 hydrogenation to formic acid: A first principles study Naimatullah,
436-437 C p.
 article
3906 Theoretical calculations, far-infrared spectra and the potential energy surfaces of four cyclic silanes Chun, Hye Jin
 2014
 436-437 C p. 15-19
5 p.
 article
3907 Theoretical calculations of 1H NMR chemical shifts for nitrogenated compounds in chloroform solution Da Silva, Haroldo C.
 2020
 436-437 C p.
 article
3908 Theoretical chemistry and quantum dynamics at interfaces: Celebrating the career of Peter Saalfrank on the occasion of his 60th birthday Bande, Annika
436-437 C p.
 article
3909 Theoretical description of dielectric relaxation of ice with low concentration impurities Khamzin, Airat A.
436-437 C p.
 article
3910 Theoretical design of novel fluorophores for near-infrared fluorescent probes of peroxynitrite Zhao, Bing
436-437 C p.
 article
3911 Theoretical electronic structure of the NaBe molecule Chmaisani, Wael
 2017
 436-437 C p. 33-41
9 p.
 article
3912 Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects Oliveira, Boaz G.
 2014
 436-437 C p. 67-75
9 p.
 article
3913 Theoretical evidence for the resonance-inhibited hydrogen bonding (RIHB) in enol-imine tautomers Masumian, Ehsan
436-437 C p.
 article
3914 Theoretical examination of picosecond phenol migration dynamics in phenylacetylene solution Kocia, Lucas
 2013
 436-437 C p. 175-183
9 p.
 article
3915 Theoretical hydrolysis mechanism of anticancer Pt(II) and Pd(II) dichloro complexes with N, N bidentate chelator in aqueous medium and their molecular docking Kumar Tarai, Swarup
436-437 C p.
 article
3916 Theoretical insight into actinide monometallofullerene Th@C74 with four-electron-transfer characteristics Gu, Yong-Xin
436-437 C p.
 article
3917 Theoretical insight into dimethyl carbonate carboxymethylation of alcohols assisted by Lewis acid proton carrier catalyst FeCl3 Pi, Yanli
436-437 C p.
 article
3918 Theoretical insights into the degradation mechanism, kinetics, and product nucleation of cis-3-hexen-1-ol induced by OH radicals in the atmosphere Chen, Ruixin
436-437 C p.
 article
3919 Theoretical insights into the diverse and tunable charge transport behavior of stilbene-based single-molecule junctions Xu, Ke
436-437 C p.
 article
3920 Theoretical insights into the essential role of weak interactions in the electrocatalytic reduction of nitrobenzene: Ag-anchored graphene electrode Fan, Jiake
436-437 C p.
 article
3921 Theoretical insights into the excited-state single and double proton transfer processes of DEASH in water Xin, Xin
436-437 C p.
 article
3922 Theoretical insights into the interplay between Sb vacancy and Fe on magnetic and optoelectronic properties of Fe-doped antimonene Han, Xiaoping
436-437 C p.
 article
3923 Theoretical insights into the ring structures and aromaticity of neutral and ionic (SiO) n 0, ±(n = 2–4) Cheng, Xueli
436-437 C p.
 article
3924 Theoretical interpretation of the infrared lineshapes of the H- and D-bonds in liquid formic acid Fathi, Sonia
 2017
 436-437 C p. 12-22
11 p.
 article
3925 Theoretical investigation of a polarizable colloid in the salt medium Bakhshandeh, Amin
436-437 C p. 195-200
 article
3926 Theoretical investigation of optical properties of embedded plasmonic nanoparticles Shabaninezhad, Masoud
436-437 C p.
 article
3927 Theoretical investigation of polymer chain stability in the metal coordinated azorubine and cyclam complex Vlassa, Mihaela
 2015
 436-437 C p. 152-159
8 p.
 article
3928 Theoretical investigation of potential energy surface and bound states for the van der Waals complex Ar–BrCl dimer Zheng, Rui
 2015
 436-437 C p. 77-85
9 p.
 article
3929 Theoretical investigation of storage capacity of hydrocarbon gas in sH hydrate Liu, Jinxiang
 2019
 436-437 C p.
 article
3930 Theoretical investigation of the crystal structure of AlOF Budau, Johannes Horst
 2017
 436-437 C p. 112-117
6 p.
 article
3931 Theoretical investigation of the effect of ambient pressure on bubble sonochemistry: Special focus on hydrogen and reactive radicals production Dehane, Aissa
436-437 C p.
 article
3932 Theoretical investigation of the ground state dissociation pathways of CH2NO2 Shuber, Nicholas J.
436-437 C p.
 article
3933 Theoretical investigation of the long-lived metastable AlO2+ dication in gas phase Sghaier, Onsi
 2016
 436-437 C p. 32-38
7 p.
 article
3934 Theoretical investigation of the sm-BiVO4 of different surfaces for photocatalytic properties Zhang, Xiong
436-437 C p.
 article
3935 Theoretical Investigation of the structure and Raman scattering properties of Hoogsteen- and Watson-Crick-type Adenine-Thymine base pair Xiao, Yu
436-437 C p.
 article
3936 Theoretical investigation on carrier mobilities of armchair graphene nanoribbons with substituted edges Wang, Guo
 2014
 436-437 C p. 57-62
6 p.
 article
3937 Theoretical investigation on electronic properties and carrier mobilities of armchair graphyne nanoribbons Ge, Hongyu
 2015
 436-437 C p. 114-121
8 p.
 article
3938 Theoretical investigation on low-temperature decomposition kinetics of hdroperoxymethyl formate with multistructural torsional anharmonicity Duan, Yaozong
436-437 C p.
 article
3939 Theoretical investigation on the adsorption orientation of DNA on two-dimensional MoSe2 Zhou, Hanxing
436-437 C p.
 article
3940 Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene Denis, Pablo A.
 2014
 436-437 C p. 1-6
6 p.
 article
3941 Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water Okuda, Masaki
436-437 C p. 82-87
 article
3942 Theoretical investigations of BBS (singlet)→BSB (triplet) transformation on a potential energy surface obtained from neural network fitting Nguyen-Truong, Hieu T.
 2013
 436-437 C p. 31-37
7 p.
 article
3943 Theoretical investigations on Zundel cation present inside boron-nitride nanotubes: Effect of confinement and hydrogen bonding Tripathy, Manoj K.
 2015
 436-437 C p. 127-133
 article
3944 Theoretically explore XRD analysis and multi-functional properties of Ruddlesden popper phase family member Sr2XO4 (X = Ce, Hf, Ti and Zr) for photovoltaic applications Hussain, Ahmad
436-437 C p.
 article
3945 Theoretical model in cylindrical coordinates to describe dynamic interfacial tension determination with spinning drop tensiometry Jiang, Yulian
 2019
 436-437 C p.
 article
3946 Theoretical modelling of the adsorption of thallium and element 113 atoms on gold using two-component density functional methods with effective core potentials Fox-Beyer, Brigitte S.
 2012
 436-437 C p. 95-103
9 p.
 article
3947 Theoretical prediction of Gibbs free energy and specific heat capacity of gaseous molecules Eyube, E.S.
436-437 C p.
 article
3948 Theoretical prediction of molar entropy of modified shifted Morse potential for gaseous molecules Onate, C.A.
436-437 C p.
 article
3949 Theoretical prediction of noble gas inserted halocarbenes: FNgCX (Ng=Kr, and Xe; X=F, Cl, Br, and I) Chopra, Pragya
 2017
 436-437 C p. 20-30
 article
3950 Theoretical prediction of the reaction mechanism underlying the active phase of Bn (n = 3–5) and Cu-doped electron deficient Bn-1 clusters: Reduction of CO2 LIU, Hong-xia
436-437 C p.
 article
3951 Theoretical prediction of thermodynamic properties of N2 and CO using pseudo harmonic and Mie-type potentials Ghanbari, A.
436-437 C p.
 article
3952 Theoretical prediction of two-dimensional CrOF sheet as a ferromagnetic semiconductor or a half-metal Xiao, Tiantian
436-437 C p. 182-187
 article
3953 Theoretical prediction of two-dimensional ZnO/GaN van der Waals heterostructure as a photocatalyst for water splitting Ren, Kai
 2020
 436-437 C p.
 article
3954 Theoretical regulation of ESIPT behavior by varying the π-expansion of proton acceptor for substituted hydroxyl fluorenes Song, Liying
436-437 C p.
 article
3955 Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory Bao, Shi-Yuan
436-437 C p.
 article
3956 Theoretical reproduction of superstructures revealed by STM on bilayer graphene Cisternas , E.
 2012
 436-437 C p. 74-78
5 p.
 article
3957 Theoretical studies of strong-field photoionization of CH3I Shi, Fan
436-437 C p. 28-32
 article
3958 Theoretical studies of the dissociation of Mn atoms on different crystal surfaces of LiMn0.5Fe0.5PO4 Zhong, Kaifu
436-437 C p.
 article
3959 Theoretical studies of the influence of protic and aprotic ionic liquids on the basicity of CaO as a solid base catalyst Zobeydi, Rahman
 2018
 436-437 C p. 31-37
 article
3960 Theoretical studies on 4H-cyclopenta[2,1-b:3,4-b′]dithiophene-based Windmill-shaped nanogrids with low reorganization energies Yang, Lei
436-437 C p. 191-198
 article
3961 Theoretical study of carbon dioxide adsorption and diffusion in MIL-127(Fe) metal organic framework Pongsajanukul, Pavee
 2017
 436-437 C p. 118-125
8 p.
 article
3962 Theoretical study of charge-transfer processes at finite temperature using a novel thermal Schrödinger equation Borrelli, Raffaele
 2018
 436-437 C p. 236-241
 article
3963 Theoretical study of chloro-α,β,γ,δ-tetraphenylporphyrinato cobalt(III) dimer reaction: A reaction path to form π cation radicals Kohno, Yuji
 2019
 436-437 C p. 28-33
 article
3964 Theoretical study of electronic absorption spectroscopy of propadienylidene molecule vis-â-vis the observed diffuse interstellar bands Reddy, Samala Nagaprasad
 2012
 436-437 C p. 1-11
11 p.
 article
3965 Theoretical study of electronic properties and isotope effects in the UV absorption spectrum of disulfur Sarka, Karolis
436-437 C p. 108-115
 article
3966 Theoretical study of electronic structures of UNC and UCN Roy, Soumendra K.
436-437 C p.
 article
3967 Theoretical study of HNCO formation from atomic nitrogen and carbon monoxide in the presence of water Mignon, Pierre
 2017
 436-437 C p. 28-35
 article
3968 Theoretical study of intramolecular singlet fission in xanthene-bonded pentacene dimers Reddy, S. Rajagopala
 2018
 436-437 C p. 628-634
 article
3969 Theoretical study of Jahn Teller effect on ion diffusion in trigonal prismatic 1H-MnO2 Yang, Junying
436-437 C p.
 article
3970 Theoretical study of low-lying electronic states of BiCl, BiBr, and BiI Wang, Kai
436-437 C p.
 article
3971 Theoretical study of manganese hydrides and halides, MnX n with X=H, F, Cl, Br and n =1–4 Nhat, Pham Vu
 2012
 436-437 C p. 185-197
13 p.
 article
3972 Theoretical study of microscopic solvation of NaOH in water: NaOH(H2O) n , n =1–10 Roy, Debesh R.
 2012
 436-437 C p. 92-96
5 p.
 article
3973 Theoretical study of multi-coordinated Xe(AuF) n (n = 2–4): Intriguing bond-bending isomerism Luo, Dongze
436-437 C p.
 article
3974 Theoretical study of OH-breaking reactions in Na(H2O) n clusters Hashimoto, Kenro
 2013
 436-437 C p. 124-130
7 p.
 article
3975 Theoretical study of resonances formed in low-energy Li− + H collisions Lin, Xiao He
 2019
 436-437 C p. 10-14
 article
3976 Theoretical study of spin–orbit and Coriolis coupling among the low-lying states of Rb2 and Cs2 Pazyuk, Elena A.
 2015
 436-437 C p. 51-56
6 p.
 article
3977 Theoretical study of the alkali hydride anions XH–(X = Li, Na, and K) Zeid, Israa
436-437 C p.
 article
3978 Theoretical study of the conditional non-monotonic off rate dependence of catalytic reaction rates in single enzymes in the presence of conformational fluctuations Singh, Divya
 2019
 436-437 C p. 150-159
 article
3979 Theoretical study of the cooperativity in substituted dimethyl ethers complexed with two water molecules. Red or blue shifts of the ν(CH) vibrations? Chandra, Asit K.
 2013
 436-437 C p. 66-70
5 p.
 article
3980 Theoretical study of the electronic structure and electrical properties of Al-doped niobium clusters Pansini, F.N.N.
436-437 C p.
 article
3981 Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments Dardouri, Riadh
 2012
 436-437 C p. 65-79
15 p.
 article
3982 Theoretical study of the initial non-radiative 1 B u →2 A g transition in the fluorescence quenching of s-trans-butadiene: Electronic structure methods and quantum dynamics Komainda, A.
 2017
 436-437 C p. 27-38
 article
3983 Theoretical study of the low-lying adiabatic states of the NaLi+ molecular ion Rabli, Djamal
 2018
 436-437 C p. 63-70
 article
3984 Theoretical study of the low-lying doublet and quartet electronic states of 7Li16O molecule including spin-orbit coupling effect and a new limit to the adiabatic ionization energy da Silva, Ramon S.
436-437 C p.
 article
3985 Theoretical study of the photovoltaic properties of dye-sensitized solar cells with novel D-A-π-A-type benzothiazole molecules as auxiliary acceptors Shi, Hongxv
436-437 C p.
 article
3986 Theoretical study of the radiationless deactivation mechanisms of photo-excited thiophene Stenrup, M.
 2012
 436-437 C p. 18-25
8 p.
 article
3987 Theoretical study of the solid-state effect on red hot excitons combined with aggregation induced emission molecule Xv, Mengyao
436-437 C p.
 article
3988 Theoretical study of the XP3 (X=Al, B, Ga) clusters Ueno, Leonardo T.
 2012
 436-437 C p. 23-27
5 p.
 article
3989 Theoretical study of the X-ray natural circular dichroism of some crystalline amino acids Takahashi, Osamu
436-437 C p. 109-114
 article
3990 Theoretical study of ultraviolet induced photodissociation dynamics of sulfuric acid Murakami, Tatsuhiro
 2015
 436-437 C p. 17-24
8 p.
 article
3991 Theoretical study of valence excitations in fluoromethanes by high energy electron impact Watanabe, Noboru
436-437 C p.
 article
3992 Theoretical study of vibronic absorption spectra and Franck-Condon factors of copper and silver hydrides Mohammadian, Zeinab
436-437 C p.
 article
3993 Theoretical study on charge injection and transport properties of six emitters with push–pull structure Lin, Tao
 2014
 436-437 C p. 47-52
6 p.
 article
3994 Theoretical study on electronic excitation spectra: A matrix form of numerical algorithm for spectral shift Ming, Mei-Jun
 2017
 436-437 C p. 27-34
8 p.
 article
3995 Theoretical study on Fe2C MXene as electrode material for secondary battery Li, Bo
436-437 C p.
 article
3996 Theoretical study on the combined systems of peanut-shaped carbon nanotubes encapsulated in single-walled carbon nanotubes Wang, Guo
 2012
 436-437 C p. 65-71
7 p.
 article
3997 Theoretical study on the effect of H2O and ionic liquid on CO2 reduction on Cu surface Zhang, Zhiqi
436-437 C p.
 article
3998 Theoretical study on the formation mechanisms of CH 3 + from doubly charged benzene Li, Y.
436-437 C p.
 article
3999 Theoretical study on the photocatalytic potential of BSe nanotubes for water splitting under visible light Li, Lijian
436-437 C p.
 article
4000 Theoretical study on the reaction mechanisms of H X CN (X =1,2) with nitrate radical Zhang, Ji-Dong
 2013
 436-437 C p. 68-71
4 p.
 article
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