IBL Tool - Digital Library

Digital Library

next >>

Journal description

All volumes of the corresponding journal

All issues of the corresponding volume

All articles of the corresponding issues

4350 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	A benchmark test suite for proton transfer energies and its use to test electronic structure model chemistries	Nachimuthu, Santhanamoorthi		2012	436-437	C	p. 8-12 5 p.	article
2	A beyond Born-Oppenheimer treatment of five state molecular system NO 3 and the photodetachment spectra of its anion	Mukherjee, Bijit		2018	436-437	C	p. 350-359	article
3	Ab initio based potential energy surface and kinetic studies of the H + HCF3 reaction	Ding, Xiaokang			436-437	C	p.	article
4	Ab initio calculation on the low-lying excited states of Si 2 + cation including spin–orbit coupling	Liu, Yanlei		2013	436-437	C	p. 156-161 6 p.	article
5	Ab-initio calculations combined with Monte Carlo simulation of the physical properties of Fe3S4 compound	Benyoussef, S.			436-437	C	p.	article
6	Ab initio calculations of the ground and excited states of the YN molecule including spin–orbit effects	Farhat, A.		2014	436-437	C	p. 33-43 11 p.	article
7	Ab initio diagnosis of isomerization pathway of diphosphene and diphosphinylidene	Sinha Ray, Suvonil			436-437	C	p.	article
8	Ab initio investigation of the passivation effect of the acrylonitrile molecule on the Si(100)-(2×1) surface	Usanmaz, D.		2014	436-437	C	p. 12-16 5 p.	article
9	Ab-initio investigations on the energetic, opto-electronic and magnetic characteristics of alkali metal (AM) atom substituted monatomic AlN layer	Shuai, Yong			436-437	C	p.	article
10	Ab initio molecular dynamics of the reaction of quercetin with superoxide radical	Lespade, Laure		2016	436-437	C	p. 32-38 7 p.	article
11	Ab initio molecular dynamics study on microstructure and diffusion properties of CaF2-2.2NaF-AlF3 system	Chen, Can			436-437	C	p.	article
12	Ab initio photodynamics of model EUV photoresists	Chalabala, Jan		2018	436-437	C	p. 221-230	article
13	Ab initio potential energy surfaces of HCS+: A study of the ground and the low-lying excited electronic states	Kaur, Rajwant		2016	436-437	C	p. 36-41 6 p.	article
14	Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach	Makhov, Dmitry V.		2017	436-437	C	p. 200-218 19 p.	article
15	Ab initio quantum mechanical calculation of the reaction probability for the Cl - + PH 2 Cl → ClPH 2 + Cl - reaction	Farahani, Pooria		2013	436-437	C	p. 134-140 7 p.	article
16	Ab initio relativistic potential energy surface with analytical long-range part of benzene-Rn complex and its application to intermolecular vibrations	Shirkov, Leonid			436-437	C	p.	article
17	Ab initio search for global minimum structures of neutral and anionic hydrogenated Li5 clusters	Muz, İskender		2013	436-437	C	p. 14-21 8 p.	article
18	Ab initio studies of novel carbon nitride phase C2N2(CH2)	Wei , Qun		2013	436-437	C	p. 36-43 8 p.	article
19	Ab initio study of (FeCpVCp) n @MoS2 NT — A one-dimensional bimetallic sandwich molecular wire (FeCpVCp) n encapsulated into MoS2 nanotube	Wang, Yuxiu		2019	436-437	C	p. 1-6	article
20	Ab initio study of hydrocarbon prismanes and their substituted derivatives	Salem, Mahmoud A.		2019	436-437	C	p. 25-29	article
21	Ab-initio study of intermolecular interaction and structure of liquid cyclopentasilane	Lam, Pham Tien		2012	436-437	C	p. 59-64 6 p.	article
22	Ab initio study of Li adsorption in carbon nanotubes functionalized with amine and carboxyl groups	Jalili, Seifollah		2013	436-437	C	p. 35-41 7 p.	article
23	Ab initio study of palladium dichloride PdCl2 and its anion PdCl2 −	Kurosaki, Yuzuru			436-437	C	p.	article
24	Ab-initio study of structural, electronic, elastic, phonon properties, and phase transition path of sodium selenite	Kurkcu, Cihan			436-437	C	p.	article
25	Ab initio study of the structural properties of acetonitrile–water mixtures	Chen, Jinfan		2015	436-437	C	p. 87-97 11 p.	article
26	Ab initio study of zinc chloride dication ZnCl2+ in the gas phase	Fišer, J.		2014	436-437	C	p. 137-143 7 p.	article
27	Ab initio study on physical and chemical interactions at borates and iron oxide interface at high temperature	Ta, Huong T.T.			436-437	C	p.	article
28	Ab initio study on the excited state proton transfer mediated photophysics of 3-hydroxy-picolinic acid	Rode, Michał F.		2012	436-437	C	p. 41-48 8 p.	article
29	Ab initio treatment of gas phase GeO2+ doubly charged ion	Mogren Al Mogren, M.		2015	436-437	C	p. 13-17	article
30	A boiling point prediction method based on machine learning for potential insulating gases	Liu, Wei			436-437	C	p.	article
31	About diverse behavior of the molecular electric properties upon spatial confinement	Kozłowska, Justyna		2015	436-437	C	p. 98-105 8 p.	article
32	About mobility thickness dependence in molecularly doped polymers	Tyutnev, A.P.		2017	436-437	C	p. 16-22 7 p.	article
33	Absence of isotope effects in the photo-induced desorption of CO from saturated Pd(111) at high laser fluence	Muzas, A.S.			436-437	C	p.	article
34	Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4	Maldonado, Alejandro F.		2015	436-437	C	p. 125-130 6 p.	article
35	Absorption and Raman scattering by molecule adsorbed on crystal surface: Many particles approach	Yaremko, A.M.		2019	436-437	C	p. 52-63	article
36	Absorption of colored phenolphthalein dianion in aqueous solution: a theoretical analysis	Kostjukov, Victor			436-437	C	p.	article
37	A canonical approach to forces in molecules	Walton, Jay R.		2016	436-437	C	p. 52-58 7 p.	article
38	A canonical approach to multi-dimensional van der Waals, hydrogen-bonded, and halogen-bonded potentials	Walton, Jay R.		2016	436-437	C	p. 60-64 5 p.	article
39	A case study of dispersion behaviors of TiC nanoparticles in molten Al	Zhang, Xuehong			436-437	C	p.	article
40	Accelerating water wet-dry phase transitions in a one-dimensional carbon nanotube	Meng, X.W.			436-437	C	p.	article
41	Accessing the applicability of the MBE approach for constructing potential energy surfaces of nitrogen clusters	Zhu, Yongfa			436-437	C	p.	article
42	Accuracy of Potfit-based potential representations and its impact on the performance of (ML-)MCTDH	Otto, Frank			436-437	C	p. 116-130	article
43	Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning	Meek, Garrett A.		2015	436-437	C	p. 117-124 8 p.	article
44	Accurate calculation of binding energies for molecular clusters – Assessment of different models	Friedrich, Joachim		2016	436-437	C	p. 72-80 9 p.	article
45	Accurate computations of the structures and binding energies of the imidazole ⋯ benzene and pyrrole ⋯ benzene complexes	Ahnen, Sandra		2014	436-437	C	p. 17-22 6 p.	article
46	Accurate measurement of the T-shaped and linear Ar ⋯ I 2 ( X, ν ″ = 0 ) binding energies using vibronic-specific I2(B, ν) fragment velocity-map imaging	Wei, Jie		2012	436-437	C	p. 172-179 8 p.	article
47	Accurate potential energy surfaces for the excited state of CF2 molecule	Yin, Ruilin			436-437	C	p.	article
48	Accurate potential surfaces for the first three lowest states of reaction O(3P) + C2( a 3 Π u ) → CO( X 1 Σ ) + C(1D)	Wang, Dequan		2019	436-437	C	p. 228-236	article
49	Accurate solutions of the Schrödinger and Dirac equations of H 2 + , HD+, and HT+: With and without Born–Oppenheimer approximation and under magnetic field	Ishikawa, Atsushi		2012	436-437	C	p. 62-72 11 p.	article
50	Acetic acid-benzaldehyde solutions: FTIR studies, DFT, isosurface, NBO and QTAIM analyses	Mounica, P.			436-437	C	p.	article
51	A chemical kinetics simulation of plasma-catalytic dry reforming	Wang, Shengfei			436-437	C	p.	article
52	Achieving molecular distinction in alcohols with femtosecond thermal lens spectroscopy	Kumar Rawat, Ashwini			436-437	C	p.	article
53	Achieving ultrafast topologically-protected vibrational energy transfer in a dimer chain	Hsieh, Chang-Yu		2018	436-437	C	p. 315-322	article
54	A classic case of Jahn–Teller effect theory revisited: Ab initio simulation of hyperfine coupling and pseudorotational tunneling in the 12E′ state of Na3	Hauser, Andreas W.		2015	436-437	C	p. 2-13 12 p.	article
55	A close inspection of the charge-transfer excitation by TDDFT with various functionals: An application of orbital- and density-based analyses	Nitta , Hiroya		2012	436-437	C	p. 93-99 7 p.	article
56	A coarse-grained method to predict the open-to-closed behavior of glutamine binding protein	Lv, Dashuai		2017	436-437	C	p. 166-174 9 p.	article
57	A coherent modified Redfield theory for excitation energy transfer in molecular aggregates	Hwang-Fu, Yu-Hsien		2015	436-437	C	p. 46-53 8 p.	article
58	A combined crossed molecular beams and theoretical study of the reaction CN+C2H4	Balucani, Nadia		2015	436-437	C	p. 34-42 9 p.	article
59	A combined INS and DINS study of proton quantum dynamics of ice and water across the triple point and in the supercritical phase	Andreani, C.		2013	436-437	C	p. 106-110 5 p.	article
60	A combined single-molecule FRET and tryptophan fluorescence study of RNase H folding under acidic conditions	Rieger, Robert		2012	436-437	C	p. 3-9 7 p.	article
61	A combined time-resolved infrared and density functional theory study of the lowest excited states of 9-fluorenone and 2-naphthaldehyde	Hanson-Heine, Magnus W.D.			436-437	C	p. 44-52	article
62	A comparative analysis of powder ENDOR spectra of aromaticand aliphatic radicals byexact and 1st order simulation	Erickson, Roland			436-437	C	p.	article
63	A comparative analysis of UV–vis transitions in hetaryl and ferrocenyl thioketones	Matczak, Piotr			436-437	C	p.	article
64	A comparative study of CO2, CH4 and N2 adsorption in ZIF-8, Zeolite-13X and BPL activated carbon	McEwen, Joe		2013	436-437	C	p. 72-76 5 p.	article
65	A comparative study of the structural, electronic, vibrational, dielectric and elastic properties of the two phases CaAgBi through first-principles calculations	Xu, Wen-Xuan			436-437	C	p.	article
66	A comparative study on adiabatic and nonadiabatic dynamics of the H(2S) + NaH(X1Σ+) reaction	Bai, Yuwen			436-437	C	p.	article
67	A comparative study on full diagonalization of Hessian matrix and Gradient-only technique to trace out reaction path in doped noble gas clusters using stochastic optimization	Biring, Shyamal Kumar		2012	436-437	C	p. 198-206 9 p.	article
68	A comparison between nitroxide and hydrazyl free radicals in selective alcohols oxidation	Shakir, Ahmed J.		2017	436-437	C	p. 7-11 5 p.	article
69	A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations	Choudhary, Nilesh			436-437	C	p. 6-14	article
70	A comprehensive comparison between thermodynamic perturbation theory and first-order mean spherical approximation: Based on discrete potentials with hard core	Zhou, Shiqi		2017	436-437	C	p. 1-11 11 p.	article
71	A comprehensive local structure analysis of Cr3+ centers in K2ZnF4 crystals: A semi-empirical approach	Açıkgöz, Muhammed		2015	436-437	C	p. 48-56 9 p.	article
72	A comprehensive studies on photophysical and electrochemical properties of novel D-π-A thiophene substituted 1,3,4-oxadiazole derivatives for optoelectronic applications: A computational and experimental approach	Thippeswamy, M.S.			436-437	C	p.	article
73	A comprehensive study of Interatomic Coulombic Decay in argon dimers: Extracting R-dependent absolute decay rates from the experiment	Rist, J.		2017	436-437	C	p. 185-191	article
74	A Computational approach toward organometallic ruthenium(II) compounds with tunable hydrolytic properties	Kuznetsov, Aleksey E.			436-437	C	p.	article
75	A computational investigation of the effects of changes of donor–acceptor linker length and acceptor on electronic spectra of small-molecule single-component organic solar cells	Liu, Kaikai			436-437	C	p.	article
76	A computational investigation on the photo-isomerization of 2,4,6-octatriene and its UV–visible spectrum	Chattopadhyay, Anjan			436-437	C	p. 98-105	article
77	A computational prediction of a novel quasi hexagonal Al2SSi semiconductor monolayer	Shirnezhad, Tahereh			436-437	C	p.	article
78	A computational study of adhesion between rubber and metal sulfides at rubber–brass interface	Ling, Chian Ye		2015	436-437	C	p. 7-12 6 p.	article
79	A computational study of structural and magnetic properties of bi- and trinuclear Cu(II) complexes with extremely long Cu---Cu distances	Baryshnikov, Gleb V.		2017	436-437	C	p. 48-55 8 p.	article
80	A computational study on the mechanical properties of Pentahexoctite single-layer: Combining DFT and classical molecular dynamics simulations	Brandão, W.H.S.			436-437	C	p.	article
81	A Coumarin-Julolidine conjugated novel Schiff base: synthesis, DFT insights, and evaluation of selective and sensitive dual-responsive fluorescence sensing capabilities with Cu+ and Cu2+ ions	Niranjan, Raghvendra			436-437	C	p.	article
82	Acoustic and spectroscopic investigation of sodium salicylate with potassium chloride/sodium bicarbonate: A volumetric and thermodynamic study	Choudhary, Mashahid Hussain			436-437	C	p.	article
83	Acquisition of pro-oxidant activity of fALS-linked SOD1 mutants as revealed using circular dichroism and UV-resonance Raman spectroscopy	Fujimaki, Nobuhiro		2016	436-437	C	p. 5-10 6 p.	article
84	A crossed molecular beams investigation of the reactions of atomic silicon (Si(3P)) with C4H6 isomers (1,3-butadiene, 1,2-butadiene, and 1-butyne)	Thomas, Aaron M.		2019	436-437	C	p. 70-80	article
85	Activated barrier crossing dynamics in the non-radiative decay of NADH and NADPH	Blacker, Thomas S.		2013	436-437	C	p. 184-194 11 p.	article
86	Activating Bi2O3 by ball milling to induce efficiently oxygen vacancy for incorporating iodide anions to form BiOI	Wang, Chao			436-437	C	p.	article
87	Adamsite and chloropicrin molecular adsorption studies on novel green phosphorene nanotube – First-principles investigation	Nagarajan, V.			436-437	C	p.	article
88	Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500K: A DFT study	Parandaman, A.		2017	436-437	C	p. 82-94 13 p.	article
89	A decade with quantum coherence: How our past became classical and the future turned quantum	Mančal, Tomáš			436-437	C	p.	article
90	A deeper look into Herzberg-Teller vibronic coupling effect and spectroscopic signature of non-Condon systems	Toutounji, Mohamad		2019	436-437	C	p. 205-210	article
91	A density functional reactivity theory (DFRT) based approach to understand the effect of symmetry of fullerenes on the kinetic, thermodynamic and structural aspects of carbon NanoBuds	Sarmah, Amrit		2016	436-437	C	p. 218-228 11 p.	article
92	A density functional study of water dissociation on small cationic, neutral, and anionic Ni-based alloy clusters	Lian, Xin		2019	436-437	C	p. 44-50	article
93	A density functional theory study on structures, stabilities, and electronic and magnetic properties of Au n C (n =1–9) clusters	Hou, Xiao-Fei		2016	436-437	C	p. 50-60 11 p.	article
94	A density functional theory study on the catalytic performance of metal (Ni, Pd) single atom, dimer and trimer for H2 dissociation	Xue, Mei			436-437	C	p.	article
95	A device for exploring the full angular excitation space – Can more angular projections improve determination of a molecules 3D-orientation in the presence of noise?	Pfennig, Dominik			436-437	C	p.	article
96	A DFT approach for theoretical and experimental study of structure, electronic, Hirshfeld surface and spectroscopic properties of 12-(4-bromophenyl)-2-(prop-2-ynyloxy)-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-on single crystal	Singh, Harjinder		2019	436-437	C	p. 1-13	article
97	A DFT investigation exploring the influence of lone electron pair on hyperfine structures of N-centered radicals	Zhao, Chenxuan		2019	436-437	C	p. 13-23	article
98	A DFT study of CH4 adsorption on OMS-2 (110) surface with different types of oxygen vacancies	Zhai, Ruicong			436-437	C	p.	article
99	A DFT study of the electronic structures and optical properties of (Cr, C) co-doped rutile TiO2	Chen, Hao		2018	436-437	C	p. 60-67	article
100	A DFT study of the interaction between large PAHs and atomic chlorine or hydrogen chloride molecule: Toward a modelling of the influence of chlorinated species on the trapping of water by soot	Garcia-Fernandez, C.		2017	436-437	C	p. 46-55 10 p.	article
101	A DFT study on photodissociation of the palladium tetrachloride anion PdCl4 2− in solution	Anzai, Aiko			436-437	C	p.	article
102	A DFT study on protic solvent assisted tautomerization of heterocyclic thiocarbonyls	Jayasree, Elambalassery G.			436-437	C	p.	article
103	A DFT study on the enthalpies of thermite reactions and enthalpies of formation of metal composite oxide	Zhang, Yu-ying		2018	436-437	C	p. 19-27	article
104	A DFT study on the failure mechanism of Al2O3 film by various point defects in solution	Zhang, Chuan-Hui		2018	436-437	C	p. 48-56	article
105	Adiabatic versus diabatic approach to multichannel Coulomb scattering for mutual neutralisation reaction H + + H - → H 2 ∗ → H ( 1 ) + H ( n )	Volkov, M.V.		2015	436-437	C	p. 57-64 8 p.	article
106	Adjacent keto and enol groups in photochemistry of a cyclic molecule: Products, mechanisms and dynamics	Shemesh, Dorit		2018	436-437	C	p. 177-186	article
107	Adsorption and decomposition of H 2 S on C 2 N sheet with embedded manganese atom: First-principles calculations	Zuntu Abdullahi, Yusuf			436-437	C	p.	article
108	Adsorption and decomposition properties of HMX on MgH2(1 1 0) surface: A first Principles study	Zhang, Yang			436-437	C	p.	article
109	Adsorption and desorption mechanism of toluene gas by iron modified activated carbon fiber	Wu, Wenjuan			436-437	C	p.	article
110	Adsorption and diffusion mechanism of Cs+ by potassium copper ferrocyanide-functionalized mesoporous silica channels: Molecular dynamics simulations	Yu, Xingyu			436-437	C	p.	article
111	Adsorption and dynamics in cylindrical pore: Molecular dynamics and classical density functional theory study	Zhou, Shiqi			436-437	C	p.	article
112	Adsorption and electronic states of morin on TiO2 nanoparticles	Zdyb, Agata		2014	436-437	C	p. 61-66 6 p.	article
113	Adsorption and infrared spectra simulations of acrylic acid over (001) surface of molybdenum carbide	Oliveira, Ricardo R.			436-437	C	p.	article
114	Adsorption and reaction mechanism of UDMH and O2 on Cu2O (111) surface: A combined first-principles and reactive molecular dynamics study	Wang, Hao-yang			436-437	C	p.	article
115	Adsorption and sensing performances of Rh-embedded PtSe2 monolayer upon CO and HCHO in dry-type reactors: A first-principles study	Zhao, Qi			436-437	C	p.	article
116	Adsorption and work function type sensing of SF6 decompositions (SO2, SOF2, SO2F2, H2S and HF) based on Fe and Cu decorated B4CN3 monolayer. A first-principles study	Ahmad, Hamza			436-437	C	p.	article
117	Adsorption behaviors of CO, H2O, CH4, H2S, H2 and NH3 gases on Cu-doped MoO3 monolayer: A first-principles study	Wang, Yuchen			436-437	C	p.	article
118	Adsorption mechanism of water molecules on the surface of ZnO-SAW sensors	Jin, Min			436-437	C	p.	article
119	Adsorption of atomic and molecular monolayers on Pt-supported graphene	Stachová, Markéta			436-437	C	p.	article
120	Adsorption of Benzene-1,4-diol, 3-Methyl-1,2-cyclopentanedione and 2,6-Dimethoxyphenol on aluminium (111) plane using density functional theory calculations	Mohamad Sidik, Mohamad Sabri			436-437	C	p.	article
121	Adsorption of butyl xanthate on arsenopyrite (001) and Cu2+-activated arsenopyrite (001) surfaces: A DFT study	Dai, Pulin			436-437	C	p.	article
122	Adsorption of CH3I on Ag(1 1 1) and Ag2O(1 1 1) surface: A density functional theory study	Yang, Lin			436-437	C	p. 35-40	article
123	Adsorption of CO2 on mechanochemically synthesized silicon oxycarbide composites	Grishin, Ilia			436-437	C	p.	article
124	Adsorption of ethylene carbonate on lithium cobalt oxide thin films: A synchrotron-based spectroscopic study of the surface chemistry	Fingerle, Mathias		2017	436-437	C	p. 19-24	article
125	Adsorption of lithium ions from liquid resources by dual surfactant rod mesoporous composite lithium-ion sieve PVB-HTO-1	Lin, Mengyu			436-437	C	p.	article
126	Adsorption of molecules on C3N nanosheet: A first-principles calculations	Bafekry, A.		2019	436-437	C	p.	article
127	Adsorption of NH 3 , HCHO and C 6 H 6 onto Y-modified MoS 2 monolayer : A DFT study	Yin, Jiantao			436-437	C	p.	article
128	Adsorption of ɳ2 (O, C)-tilted formaldehyde geometry on transition metal substituted p(2 × 1) SnO2 (110) surface: A first-principles analysis	Gulshanah, Shaheen			436-437	C	p.	article
129	Adsorption of O, O2 and CO on iridium clusters and the investigations of their stability	Tayyem, Muna		2017	436-437	C	p. 10-15 6 p.	article
130	Adsorption of probe molecules to investigate by EPR the redox properties of silver loaded on ceria	Skaf, Mira		2019	436-437	C	p. 131-137	article
131	Adsorption of SF6 gas and insulating oil decomposition gas by CoO-doped SnSe monolayer in various environments: A study of strong adsorption performance	Zhang, Xiaobo			436-437	C	p.	article
132	Adsorption properties of Cr modified GaN monolayer for H2, CO, C2H2 and C2H4	Liu, Yupeng			436-437	C	p.	article
133	Adsorption studies of ethanol and butanol on Co3O4 nanostructures – A DFT study	Nagarajan, V.		2017	436-437	C	p. 61-68 8 p.	article
134	Adsorption studies of trimethyl amine and n-butyl amine vapors on stanene nanotube molecular device – A first-principles study	Bhuvaneswari, R.		2018	436-437	C	p. 78-85	article
135	Advanced hydrogen adsorption on benzene: Cation-π interaction effects	Petrushenko, I.K.			436-437	C	p.	article
136	Advanced models for vibrational–chemical coupling in multi-temperature flows	Kustova, E.		2016	436-437	C	p. 1-13 13 p.	article
137	Advanced Vibrational Spectroscopies, dedicated to Dr. Edwin J. Heilweil on the occasion of his 60th birthday	Cheatum, Christopher M.			436-437	C	p. 1-2	article
138	Advancing perovskite solar cells: Inorganic CCTS hole-transporting material for enhanced efficiency and stability	Sari, Fahriye			436-437	C	p.	article
139	Advantage of multi-step vibrational excitation in laser assisted aerodynamic separation of sulfur isotopes and a novel method of estimating the separation efficiency of the process	Sai Prasad, M.B.			436-437	C	p.	article
140	A fast hybrid method for constructing multidimensional potential energy surfaces from ab initio calculations: A new global analytic PES of NH2 system	Zhai, Huanchen		2015	436-437	C	p. 57-64 8 p.	article
141	A first-principles investigation of structural, mechanical, electronic and magnetic properties of CsMgO3 perovskite	Nouri, Toufik			436-437	C	p.	article
142	A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol	Yadav, Vivek K.		2012	436-437	C	p. 36-42 7 p.	article
143	A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells	Karmakar, Anwesa		2013	436-437	C	p. 13-21 9 p.	article
144	A first-principles study on the impact of different interface bonding configurations and proportions on the transition to metallic characteristics in two-dimensional C-BN heterostructures	Li, Jia			436-437	C	p.	article
145	A first-principle study of CO2 binding by monoethanolamine and mono-n-propanolamine solutions	Li, Hsueh-Chien		2015	436-437	C	p. 9-16 8 p.	article
146	A first-principle study on the formation and migration of AlH3 defect on (1 1 2) NaAlH4 surface	Liu, Chuan			436-437	C	p.	article
147	A flexible transition state searching method for atmospheric reaction systems	Lin, Xiao-Xiao			436-437	C	p. 21-31	article
148	A fluorescence study on the local environment of hydrogels: Double-network hydrogels having extraordinarily high mechanical strength and its constituent single-network hydrogels	Hattori, Tatsuya		2013	436-437	C	p. 172-177 6 p.	article
149	A four-component Fock-space coupled cluster investigation of the XMn(CO)5, (X=Cl, Br and I) photoelectron spectra	Nikoobakht, Behnam		2017	436-437	C	p. 339-345	article
150	A four-dimensional Numerov approach and its application to the vibrational eigenstates of linear triatomic molecules – The interplay between anharmonicity and inter-mode coupling	Kuenzer, Ulrich		2019	436-437	C	p. 88-99	article
151	A fragment-based approach to evaluate the performance of AMOEBA polarizable force field on charge-carrier electronic polarization	Zhao, Xiaobo			436-437	C	p. 84-91	article
152	A generalized recipe to construct elementary or multi-step reaction paths via a stochastic formulation: Application to the conformational change in noble gas clusters	Talukder, Srijeeta		2014	436-437	C	p. 5-14 10 p.	article
153	A GGA + vdW study on electronic properties and optoelectronic functionality of Cd-doped tetragonal CH3NH3PbI3 for photovoltaics	Han, Xiaoping			436-437	C	p.	article
154	Aggregate behavior in amphiphilic coil/rod block copolymer solutions	Han, Xiang-Gang			436-437	C	p.	article
155	Aggregation behavior in unsymmetrically substituted metal-free phthalocyanines	Kobak, Rabia Zeynep Uslu		2015	436-437	C	p. 91-97	article
156	Ag nanoparticles-decorated porous nanoplates for enhanced photocatalytic performance and SERS activity	Mao, Yaoquan			436-437	C	p.	article
157	A heavy Rydberg quantum defect analysis of the perturbed D ( 0 u + ) ion-pair state of Br2	Donovan, Robert J.		2015	436-437	C	p. 145-148 4 p.	article
158	AIMS simulation study of ultrafast electronically nonadiabatic chemistry of methyl azide and UV–VIS spectroscopic study of azido-based energetic plasticizer bis(1,3-diazido prop-2-yl)malonate	Ghosh, Jayanta		2017	436-437	C	p. 78-89	article
159	Air–water microwave plasma torch as a NO source for biomedical applications	Ferreira, C.M.		2012	436-437	C	p. 248-254 7 p.	article
160	A kinetic study on decomposition of proton-bound dimer using data obtained by ion mobility spectrometry	Jazan, Elham		2014	436-437	C	p. 30-35 6 p.	article
161	A Laser Induced Breakdown Spectroscopy application based on Local Thermodynamic Equilibrium assumption for the elemental analysis of alexandrite gemstone and copper-based alloys	De Giacomo, A.		2012	436-437	C	p. 233-238 6 p.	article
162	Aldehyde-derivatized indoles as fluorescent probes for hydration environments	You, Min		2019	436-437	C	p.	article
163	Algebraic diagrammatic construction for the polarization propagator with spin-orbit coupling	Krauter, Caroline M.		2017	436-437	C	p. 286-293	article
164	Algebraic vibrational description of the symmetric isotopologues of CO2: 13 C 16 O2, 12 C 18 O2 and 12 C 17 O2	Bermúdez-Montaña, M.			436-437	C	p.	article
165	Alkali-free synthesis of hexagonal star-like Fe-ethylene glycol (Fe-EG) complex and subsequently decomposition to α-Fe2O3 and Fe3O4/α-Fe/C composites	Ni, Jia			436-437	C	p.	article
166	Alkaline-earth metal doping in spinel LiMn2O4 cathode materials for Li-ion batteries: Insights from first-principles calculations	Liu, Wenhua			436-437	C	p.	article
167	All-optical poling and second harmonic generation diagnostic of layer-by-layer assembled photoactive polyelectrolytes	Aldea-Nunzi, G.		2013	436-437	C	p. 7-14 8 p.	article
168	A local instantaneous surface method for extracting membrane elastic moduli from simulation: Comparison with other strategies	Allolio, Christoph		2018	436-437	C	p. 31-43	article
169	Alpha-substituent effect on the photodeprotection of 4,5-dimethoxy-2-nitrobenzyl acetate	Hashimoto, Sena			436-437	C	p.	article
170	A maximum entropy principle approach to a joint probability model for sequences with known neighbor and next neighbor pair probabilities	Lou, Hongfeng			436-437	C	p.	article
171	Amino acids assisted growth of methylammonium lead iodide cuboidal crystals for solar cell applications	Ojha, Saurav K.			436-437	C	p.	article
172	Amino acids recognition by water-soluble uncharged porphyrin tweezers: Spectroscopic evidences in high optical density solutions	Villari, Valentina		2012	436-437	C	p. 118-123 6 p.	article
173	Ammonia nanotubes and their interactions with coinage metals	Mohajeri, Afshan		2014	436-437	C	p. 159-165 7 p.	article
174	A model for cooperativity of kinesin-4 motors by communicating through the microtubule track	Xie, Ping			436-437	C	p.	article
175	A model of pre-reaction complexes	Özkılıç, Yılmaz			436-437	C	p.	article
176	A modified model for estimating excess adsorption of methane in moist nanoporous silica	Wang, Dongbo			436-437	C	p.	article
177	A molecular dynamics simulations study on the modification of aqueous solution structure and dynamics in presence of monovalent salts: An electronic continuum correction approach and effect of ion size	Parida, Chinmay			436-437	C	p.	article
178	A molecular dynamics simulation study of the association of 1,1′-binaphthyl-2,2′-diyl hydrogenphosphate enantiomers with a chiral molecular micelle	Morris, Kevin F.		2014	436-437	C	p. 36-43 8 p.	article
179	A molecular electron density theory study of the chemo- and regioselective [3 + 2] cycloaddition reactions between trifluoroacetonitrile N-oxide and thioketones	Emamian, Saeedreza		2018	436-437	C	p. 128-137	article
180	A molecular insight into the aggregation of cisplatin in aqueous solutions	Sami, Reihaneh			436-437	C	p.	article
181	A monotonic increase of formal metal–metal bond orders from one to five upon loss of carbonyl groups from binuclear benzene chromium carbonyls	Wang, Hui		2013	436-437	C	p. 49-56 8 p.	article
182	A more accurate calculation method of trap state distribution based on transient photo-voltage measurement	Lin, Zedong			436-437	C	p.	article
183	A multilayer multiconfiguration time-dependent Hartree study of the nonequilibrium Anderson impurity model at zero temperature	Wang, Haobin			436-437	C	p. 13-19	article
184	A multimode-like scheme for selecting the centers of Gaussian basis functions when computing vibrational spectra	Manzhos, Sergei			436-437	C	p. 139-144	article
185	An ab initio molecular dynamics study of the hydrogen bonded structure, dynamics and vibrational spectral diffusion of water in the ion hydration shell of a superoxide ion	Choudhuri, Jyoti Roy		2014	436-437	C	p. 105-112 8 p.	article
186	An ab initio quantum chemical investigation of the structure and stability of ozone-water complexes	Kumar, Pradeep		2013	436-437	C	p. 214-221 8 p.	article
187	An ab initio quantum dynamical analysis of the vibronic structure of the X 2 B g photoelectron spectral band of s-trans- 1 , 3 -butadiene	Nikoobakht, Behnam		2018	436-437	C	p. 654-662	article
188	An ab initio study on the possibility of utilizing cationic and anionic cyanovinyl compounds as synthons	Cyraniak, Adrianna			436-437	C	p.	article
189	An ab initio study on the stability of isolated borata-alkene synthons	Cyraniak, Adrianna			436-437	C	p.	article
190	An accurate ab initio potential energy curve and the vibrational bound states of X 2 Σ u + state of H 2 -	Srivastava, S.		2012	436-437	C	p. 160-167 8 p.	article
191	An adaptive immune optimization algorithm with dynamic lattice searching operation for fast optimization of atomic clusters	Wu, Xia		2014	436-437	C	p. 94-98 5 p.	article
192	An alternative expression to the Sackur-Tetrode entropy formula for an ideal gas	Nagata, Shoichi		2018	436-437	C	p. 8-12	article
193	Analysis of a surface hopping expansion that includes hops in classically forbidden regions	Herman, Michael F.		2014	436-437	C	p. 12-21 10 p.	article
194	Analysis of electron configurations in terms of parity-supporting rotations returns the hydrogen spectrum with consequences for the orbital model	Ogrodowicz, Roksana			436-437	C	p.	article
195	Analysis of librational modes of ice XI studied by Car–Parrinello molecular dynamics	Gług, Maciej		2015	436-437	C	p. 102-111 10 p.	article
196	Analysis of nano-SiO2 affecting the acids diffusion in the interface between oil and cellulose paper	Zhang, Jingwen			436-437	C	p.	article
197	Analysis of paramagnetic 3d ions (Cr3+ and Fe3+) centers in fluoroelpasolite Cs2NaGaF6 crystal by both DFT and SPM calculations	Erbahar, D.		2018	436-437	C	p. 93-100	article
198	Analysis of quantum coherence in biology	Khmelinskii, Igor			436-437	C	p.	article
199	Analysis of structure, bonding and thermal stability of group 15 doped boron clusters MBₙ − (M = As, Sb, Bi; n = 6, 8)	Li, Zhou-Yang			436-437	C	p.	article
200	Analysis of the carrier transport in molecularly doped polymers using the multiple trapping model with the Gaussian trap distribution	Tyutnev, Andrey		2012	436-437	C	p. 88-93 6 p.	article
201	Analysis of the local structure around Cr3+ centers in perovskite KMgF3 using both ab initio (DFT) and semi-empirical (SPM) calculations	Emül, Y.		2014	436-437	C	p. 52-60 9 p.	article
202	Analysis of the non-Markovianity for electron transfer reactions in an oligothiophene-fullerene heterojunction	Mangaud, E.		2017	436-437	C	p. 90-102	article
203	Analysis of the sensing performance of Ag-doped Ti3C2O2 MXene for characteristic gases in transformer oil	Teng, Zhengfu			436-437	C	p.	article
204	Analysis of the structure and chemical bonding of C5H5ScB40: A density functional study	Pei, Ling			436-437	C	p.	article
205	Analysis of the thermal fluctuations in inclusion complexes of genistein with β-cyclodextrin derivatives	Venuti, Valentina			436-437	C	p. 125-131	article
206	Analysis of valence XPS and AES of C, N, O, and F-containing substances by DFT calculations using the model molecules	Endo, Kazunaka		2015	436-437	C	p. 31-39 9 p.	article
207	Analysis of ZFS parameters and local structure in Cr3+ ion doped into A2CdF4 (A=Cs, K) fluorine compounds	Açıkgöz, Muhammed		2016	436-437	C	p. 38-43 6 p.	article
208	Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid	Papp , P.		2013	436-437	C	p. 8-13 6 p.	article
209	Analytical solutions of the Poisson-Boltzmann equation within an interstitial electrical double layer in various geometries	Saboorian-Jooybari, Hadi		2019	436-437	C	p. 147-162	article
210	Analytical treatment of the structure for systems interacting via core-softened potentials	Bretonnet, Jean-Louis			436-437	C	p.	article
211	Analyzing total optical absorption coefficient of impurity doped quantum dots in presence of noise with special emphasis on electric field, magnetic field and confinement potential	Mandal, Arkajit		2015	436-437	C	p. 149-158 10 p.	article
212	An analysis of nonadiabatic ring-polymer molecular dynamics and its application to vibronic spectra	Richardson, Jeremy O.		2017	436-437	C	p. 124-134	article
213	An analysis of tetrahydrocannabinol (THC) and its analogs using surface enhanced Raman Scattering (SERS)	Islam, Syed K.			436-437	C	p.	article
214	An analytical formula For He-Ne Van der Waals potential without any adjustable parameters	Sheng, Xiaowei		2017	436-437	C	p. 56-60 5 p.	article
215	An analytically solvable reaction-diffusion model for chemical dynamics in solutions	Saravanan, Rajendran			436-437	C	p.	article
216	A naproxen complex of dysprosium intercalates into calf thymus DNA base pairs	Yang, Mengsi		2014	436-437	C	p. 1-5 5 p.	article
217	Anchoring ability and catalytic activity of B2C2 monolayer as the lithium-sulfur batteries cathode materials: A first principle calculation	Cao, Zhigang			436-437	C	p.	article
218	An efficient error-correction model to investigate the rotational structure and microwave spectrum of Ar–AgF complex	Tian, Yanshan			436-437	C	p.	article
219	An efficient pseudo-spectral method for the description of atomic electronic wave functions – Application to the hydrogen atom in a uniform magnetic field	Woywod, Clemens		2018	436-437	C	p. 299-314	article
220	An electronic approach to understanding the kinetics of hydrogen peroxide formation	Ashurov, M.H.			436-437	C	p.	article
221	A neutron diffraction study of the crystal of benzoic acid from 6 to 293K and a macroscopic-scale quantum theory of the lattice of hydrogen-bonded dimers	Fillaux, François		2016	436-437	C	p. 26-35 10 p.	article
222	A neutron scattering study on the stability of trehalose mycolates under thermal stress	Migliardo, F.		2013	436-437	C	p. 70-74 5 p.	article
223	A neutron-X-ray, NMR and calorimetric study of glassy Probucol synthesized using containerless techniques	Weber, J.K.R.		2013	436-437	C	p. 89-92 4 p.	article
224	An evaluation of the self-diffusion coefficient of liquid hydrogen via the generic van der Waals equation of state and modified free volume theory	Nagashima, H.			436-437	C	p.	article
225	A new ab initio potential energy surface and rovibrational spectra for the N2–N2O complex	Liu, Li			436-437	C	p.	article
226	A new acetal as a fluorescent probe for highly selective detection of Fe3+ and its application in bioimaging	Wang, Min		2019	436-437	C	p.	article
227	A new family of star-like icosahedral structures for small cobalt clusters	Aguilera-Granja, F.		2013	436-437	C	p. 106-111 6 p.	article
228	A new global potential energy surface of CaH2 system constructed with neural network method and dynamics studies of the Ca(4s 2 1 S) + H2 reaction	Liu, Fenghua			436-437	C	p.	article
229	A new global potential energy surface of X2A′ state of Li2H system and quantum dynamics calculation of the H + Li2 → Li + LiH reaction	Li, Wentao			436-437	C	p.	article
230	A new insight into the sensing mechanism of thiazole-substituted pyrazoline fluorescent sensor for the detection of picric acid	Feng, Yu			436-437	C	p.	article
231	A new mechanism of HNO3 from the reaction of NO2, ClO and water molecule in the Gas-Phase and at the Air-Water interface	Mu, Ruxue			436-437	C	p.	article
232	A new method for theoretical calculation of atomic hyperfine structure	Zhao, YuKuo			436-437	C	p.	article
233	A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis, characterization and atmospheric implications	Bossolasco, Adriana G.		2014	436-437	C	p. 11-16 6 p.	article
234	A new potential energy surface and state-to-state quantum dynamics of the Li  +  HF → H  +  LiF reaction	Liu, Xinguo			436-437	C	p. 66-71	article
235	A new technique of lithium isotope extraction and separation: Flotation complexation extraction	Wang, Zhanqin			436-437	C	p.	article
236	An exactly solvable model of polymerization	Lushnikov, A.A.		2017	436-437	C	p. 133-139 7 p.	article
237	An experimental and DFT study on free radical scavenging activity of hesperetin Schiff bases	Sykula, Anna		2019	436-437	C	p. 91-103	article
238	An experimental and theoretical exploration of the impact of co-solvent on the micellization behaviour of ionic surfactants	Fatma, Ishrat			436-437	C	p.	article
239	An experimental and theoretical investigation of the structure of synthesized ZnO powder	Kaygili, Omer			436-437	C	p. 273-279	article
240	An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride	Holland, D.M.P.			436-437	C	p.	article
241	An experimental FTIR-ATR and computational study of H-bonding in ethanol/water mixtures	Zeinalipour-Yazdi, Constantinos D.			436-437	C	p.	article
242	An experimental test for the mass independent isotopic fractionation mechanism proposed for ozone	Robert, François		2019	436-437	C	p. 191-197	article
243	Angle dependence in slow photon photocatalysis using TiO2 inverse opals	Curti, Mariano		2018	436-437	C	p. 33-38	article
244	Anharmonic effect of the reactions related to cyano radical as reactant in fuel combustion mechanism	Zhao, Rui			436-437	C	p. 38-47	article
245	Anharmonic Franck–Condon simulation of the absorption and fluorescence spectra for the low-lying S1 and S2 excited states of pyrimidine	Yang, Ling		2012	436-437	C	p. 126-136 11 p.	article
246	Anharmonic vibrational spectroscopy calculations using the ab initio CSP method: Applications to H2CO3, (H2CO3)2, H2CO3-H2O and isotopologues	Sagiv, Lior		2018	436-437	C	p. 44-54	article
247	An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method	Yu, Dequan		2015	436-437	C	p. 41-51 11 p.	article
248	An innovative approach to design readily synthesizable polymers for all-polymer solar cells	Alsaiari, Norah Salem			436-437	C	p.	article
249	An insight into fine cassiterite recovery: A novel surfactant-phenylpropylhydroxamic acid and its adsorption mechanism	Zhang, Mei			436-437	C	p.	article
250	An insight into interchain charge transfer through a photophysical study of purified conjugated nanoparticles system	Raghav, Anubhav			436-437	C	p.	article
251	An insight into intramolecular blue-shifting CH⋯π hydrogen bonds in 1,3-hexadien-5-yne and its halogen-substituted derivatives	Zhang, Lijuan		2019	436-437	C	p. 58-68	article
252	An interpretable hybrid Machine learning prediction of dielectric constant of alkali halide crystals	Deng, Jiandong			436-437	C	p.	article
253	An investigation about the structures, thermodynamics and kinetics of the formic acid involved molecular clusters	Zhang, Rui		2018	436-437	C	p. 44-50	article
254	An investigation on chemically and bio-reducing agent (Cucumis Sativus) derived Ni-doped ZnO nanoparticles for magnetic and photocatalytic applications	Kaur, Manmeet			436-437	C	p.	article
255	An investigation on kinetic and thermodynamic parameters of methylene blue adsorption onto graphene-based nanocomposite	Tran, Hoang V.			436-437	C	p.	article
256	Anionic and cationic influence on the nonlocal nonlinear optical response of ionic liquids	Santos, Cássio E.A.		2012	436-437	C	p. 33-36 4 p.	article
257	Anisotropic electronic transport properties in two-dimensional ferroelectric In 2 Se 3 monolayer	Deng, Zexiang			436-437	C	p.	article
258	Anomalous dielectric relaxation in solutions of rigid, dipolar asymmetric-top molecules in spherical solvent	Grygiel, Krzysztof			436-437	C	p.	article
259	Anomalous phase behavior of excess iodide in room-temperature ionic liquid: 1-methyl-3-propylimidazolium iodide	Abe, Hiroshi		2018	436-437	C	p. 72-76	article
260	A non-adiabatic wavepacket dynamical study of the low energy charge transfer process in the S3+ +H collision	Łabuda, Marta		2012	436-437	C	p. 165-170 6 p.	article
261	A nonvolatile organic resistive switching memory based on lotus leaves	Qi, Yiming			436-437	C	p. 168-174	article
262	An optimized deep convolutional neural network for yield prediction of Buchwald-Hartwig amination	Zhao, Yanan			436-437	C	p.	article
263	An organic-inorganic hybrid hole transport bilayer for improving the performance of perovskite solar cells	Liu, Guanchen			436-437	C	p.	article
264	Another look at structure of gold clusters Aun from perspective of phenomenological shell model	Nhat, Pham Vu		2017	436-437	C	p. 140-148 9 p.	article
265	Another physical expression of the entropy for an ideal photon gas	Nagata, Shoichi		2019	436-437	C	p. 55-58	article
266	A novel eco-friendly depressant Scutellaria Baicalensis Extract SBE and its performance on flotation separation of chalcopyrite from sphalerite: A combined experimental and mechanism investigation	Yu, Juan			436-437	C	p.	article
267	A novel ligand swing-mediated active site coordination change of human apurinic/apyrimidinic endonuclease 1: A potential cytotoxic mechanism of nickel ion in the base excision repair	Wu, Zhixiang			436-437	C	p.	article
268	A novel MoS2-modified hybrid nanodiamond/g-C3N4 photocatalyst for photocatalytic hydrogen evolution	Su, Li-Xia			436-437	C	p.	article
269	A novel red-emitting fluorescent probe for the highly selective detection of Hg2+ ion with AIE mechanism	Liu, Bing			436-437	C	p.	article
270	A novel system-bath Hamiltonian for vibration-phonon coupling: Formulation, and application to the relaxation of Si–H and Si–D bending modes of H/D:Si(100)-(2×1)	Lorenz, U.		2017	436-437	C	p. 69-80	article
271	A novel topological crystalline insulator in planar pentacoordinate OsS2 monolayer	Pang, Zhao-xia			436-437	C	p.	article
272	Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: Experimental and theoretical insights	André, Rafaela S.		2015	436-437	C	p. 87-95 9 p.	article
273	Anti-Stokes fluorescence of oxazine 1 in solution with continuous wave laser excitation at 785nm	Kumazaki, Shigeichi		2013	436-437	C	p. 107-112 6 p.	article
274	A numerical study of droplet impact on solid spheres: The effect of surface wettability, sphere size, and initial impact velocity	Li, Xinxin			436-437	C	p.	article
275	A pared-down gas-phase kinetics for the chemical oxygen-iodine laser medium	Pichugin, S.Yu.		2013	436-437	C	p. 80-90 11 p.	article
276	A permeable squeezed flow analysis of Maxwell fluid near a sensor surface with radiation and chemical reaction	Salahuddin, T.			436-437	C	p.	article
277	A phenomenological study of yttria-stabilized zirconia at 1300K with the Green-Kubo formulation and equilibrium molecular dynamics	Valadez Huerta, G.		2017	436-437	C	p. 108-117	article
278	A porous B/L acid zeolite-based catalyst regulates and controls the degradation of biomass carbohydrates to produce levulinic acid/esters	Zhang, Ronghua			436-437	C	p.	article
279	A post-collision internal energy model for O(3P)+SO2( X , 1 A 1 ) in DSMC based on Molecular Dynamics computations	Parsons, Neal		2014	436-437	C	p. 33-44 12 p.	article
280	Application of decay- and evolution-associated spectra for molecular systems with spectral shifts or inherent inhomogeneities	Braver, Yakov		2019	436-437	C	p.	article
281	Application of empirical hydration distribution functions around polar atoms for assessing hydration structures of proteins	Matsuoka, Daisuke		2013	436-437	C	p. 59-64 6 p.	article
282	Application of magnetically-perturbed time-dependent density functional theory to magnetic circular dichroism. IV. The influence of zero-field splitting on the spectra of S >1/2 molecules	Seth, Michael		2012	436-437	C	p. 63-74 12 p.	article
283	Application of particle-mesh Ewald summation to ONIOM theory	Kobayashi, Osamu		2015	436-437	C	p. 47-57 11 p.	article
284	Application of state-to-state approach in estimation of thermally nonequilibrium reaction rate constants in mode approximation	Arsentiev, I.V.		2012	436-437	C	p. 73-80 8 p.	article
285	Application of stochastic Liouville–von Neumann equation to electronic energy transfer in FMO complex	Imai, Hajime		2015	436-437	C	p. 134-141	article
286	Applications of neural networks to dynamics simulation of Landau-Zener transitions	Yang, Bianjiang		2020	436-437	C	p.	article
287	Applications of neural networks to the simulation of dynamics of open quantum systems	Bandyopadhyay, Sayantan		2018	436-437	C	p. 272-278	article
288	Approximate analytical solutions to relativistic and nonrelativistic Pöschl–Teller potential with its thermodynamic properties	Ikhdair, Sameer M.		2013	436-437	C	p. 84-95 12 p.	article
289	A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory	Sugioka, Yuji		2012	436-437	C	p. 189-196 8 p.	article
290	A priori modeling of chemical reactions on computational grid platforms: Workflows and data models	Rampino, S.		2012	436-437	C	p. 192-198 7 p.	article
291	A program system for self-consistent embedded potentials for ionic crystals	Larsson, Ernst D.			436-437	C	p.	article
292	A QM/MM-MD study on protein electronic properties: Circular dichroism spectra of oxytocin and insulin	Kitagawa, Yuya		2012	436-437	C	p. 95-102 8 p.	article
293	A quantum dynamical study of the photoelectron spectra and the Renner-Teller effect in BrCN and ClCN based on four-component potential energy hypersurfaces	Tran, V.A.			436-437	C	p. 151-162	article
294	A quantum dynamics study of the benzopyran ring opening guided by laser pulses	Saab, Mohamad		2014	436-437	C	p. 93-102 10 p.	article
295	A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities	Zhou, Haihan			436-437	C	p.	article
296	A Quasi Quantum Treatment of the spin orbit state changing and conserving rotationally inelastic NO(X)-He collisions	Zhang, Xia		2018	436-437	C	p. 4-19	article
297	A question of balance: Kinetic balance for electrons and positrons	Dyall, Kenneth G.		2012	436-437	C	p. 35-43 9 p.	article
298	Are super-exponential luminescence decays possible?	Palmeira, Tiago		2014	436-437	C	p. 14-20 7 p.	article
299	A revised study of the Li 2 + alkali-dimer using a model potential approach	Rabli, Djamal		2017	436-437	C	p. 23-29	article
300	A revisit of the vapor–liquid interface of the Lennard-Jones fluid	Liu, Hongqin			436-437	C	p.	article
301	A revisit to proline-catalyzed amination under basic conditions: Insight into the key intermediates and stereocontrolling transition state models for the reversal of enantioselectivity	Fu, Aiping		2015	436-437	C	p. 65-72 8 p.	article
302	A set of cross sections and transport coefficients for electrons in HBr	Šašić, O.		2012	436-437	C	p. 154-159 6 p.	article
303	A simple diatomic potential that prevents crystallization in supercooled liquids simulations	Kerasidou, A.P.			436-437	C	p. 91-94	article
304	A simple lattice Monte Carlo simulation to model interfacial and crowded water rearrangements	Roy, Ved Prakash			436-437	C	p.	article
305	A simple method to fabricate metal doped TiO2 nanotubes	Aijo John, K.		2019	436-437	C	p. 198-204	article
306	A simple van’t Hoff law for calculating Langmuir constants in clathrate hydrates	Lakhlifi, Azzedine		2015	436-437	C	p. 53-60	article
307	A simulation of free radicals induced oxidation of dopamine in aqueous solution	Milovanović, Branislav		2019	436-437	C	p. 26-30	article
308	A spectroscopic and computational study of Al(III) complexes in cryolite melts: Effect of cation nature	Nazmutdinov, Renat R.		2013	436-437	C	p. 22-29 8 p.	article
309	A spectroscopic approach to compare the quantum chemical calculations and experimental characteristics of some organic molecules; Benzene, Toluene, P-Xylene, P-Toluidine	Kınaytürk, Neslihan Kaya			436-437	C	p.	article
310	A Spin-Boson Screening approach for unraveling dominant vibrational energy transfer pathways in molecular materials	Chuntonov, Lev		2017	436-437	C	p. 93-99	article
311	A spin density functional calculations in electronic structures and magnetic properties of transition metal doped GaP	Sukkabot, W.		2019	436-437	C	p. 57-62	article
312	Assessing the propensity toward ionization in nanosized clusters of protic ionic liquids by Ab-initio methods	Le Donne, Andrea			436-437	C	p.	article
313	Assessing the structure of classical molecular optimal control landscapes	Joe-Wong, Carlee		2019	436-437	C	p.	article
314	Assessment of theoretical procedures for a diverse set of isomerization reactions involving double-bond migration in conjugated dienes	Yu, Li-Juan		2014	436-437	C	p. 166-177 12 p.	article
315	Assignment of the vibrational spectrum of l-cysteine	Parker, Stewart F.		2013	436-437	C	p. 75-79 5 p.	article
316	A statistical mechanics investigation about general aspects of wetting transition occurring in nonpolar neutral molecule system with a smooth solid wall	Zhou, Shiqi		2017	436-437	C	p. 31-46	article
317	A study of donor-acceptor interaction in halogen bonded complexes of N-iodosuccinimide by 14N NQR	Apih, T.		2019	436-437	C	p. 12-17	article
318	A study of gamma attenuation property of UHMWPE/Bi2O3 nanocomposites	Abdalsalam, Alyaa H.		2019	436-437	C	p. 92-98	article
319	A study of the valence shell absolute photoabsorption, photoionisation and photodissociation cross sections and the photoionisation quantum efficiency of carbonyl sulphide	Holland, D.M.P.		2016	436-437	C	p. 151-159 9 p.	article
320	A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations	Holland, D.M.P.		2016	436-437	C	p. 96-104 9 p.	article
321	A study of the valence shell electronic structure and photoionisation dynamics of meta-dichlorobenzene and meta-bromochlorobenzene	Potts, A.W.		2013	436-437	C	p. 84-97 14 p.	article
322	A study of the valence shell electronic structure and photoionisation dynamics of ortho-dichlorobenzene, ortho-bromochlorobenzene and trichlorobenzene	Holland, D.M.P.		2015	436-437	C	p. 61-75	article
323	A study of the valence shell electronic structure and photoionisation dynamics of para-dichlorobenzene and para-bromochlorobenzene	Powis, I.		2013	436-437	C	p. 291-308 18 p.	article
324	A study of the valence shell electronic structure and photoionisation dynamics of s-triazine	Coriani, S.			436-437	C	p. 115-124	article
325	A study using physical sphere-in-contact models to investigate the structure of close-packed nanoparticles supported on flat hexagonal, square and trigonal lattices	Zeinalipour-Yazdi, Constantinos D.			436-437	C	p.	article
326	Asymmetrical photoelectron angular distributions in ionization of NaK molecules driven by pump-probe femtosecond laser pulses	Zhou, Min			436-437	C	p.	article
327	Asymmetric anion effects of anions in ionic liquids: Crystal polymorphs and magnetic properties	Abe, Hiroshi			436-437	C	p.	article
328	Asymmetric electronic occupation in bimetallic single-atom dimers to accelerate spin-resolved oxygen evolution reaction	Shan, Yun			436-437	C	p.	article
329	Asymmetric heat transfer from nanoparticles in lipid bilayers	Potdar, Dipti		2015	436-437	C	p. 22-29 8 p.	article
330	Asymmetric Stark shift in an impurity doped dome-shaped quantum dot with wetting layer	Niculescu, E.C.		2017	436-437	C	p. 132-139 8 p.	article
331	A systematic study of electron or hole transfer along DNA dimers, trimers and polymers	Simserides, Constantinos		2014	436-437	C	p. 31-41 11 p.	article
332	A TD-CIS study of high-harmonic generation of uracil cation fragments	Morassut, Chiara			436-437	C	p.	article
333	A test of the significance of intermolecular vibrational coupling in isotopic fractionation	Herman, Michael F.		2017	436-437	C	p. 11-19	article
334	A theoretical characterization of multiple isomers of the He2I2 complex	Valdés, Álvaro		2012	436-437	C	p. 39-45 7 p.	article
335	A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine	Cormanich, Rodrigo A.		2013	436-437	C	p. 32-38 7 p.	article
336	A theoretical investigation on multilayer silicon nanoribbons	Zhang, Xiaohan		2016	436-437	C	p. 72-78 7 p.	article
337	A theoretical investigation on the predictability of genetic patterns	Pinčák, Richard			436-437	C	p.	article
338	A theoretical model investigation of peptide bond formation involving two water molecules in ribosome supports the two-step and eight membered ring mechanism	Wang, Qiang			436-437	C	p. 1-11	article
339	A theoretical perspective on segmental relaxation dynamics of model dendrimer	Bhardwaj, Shelly			436-437	C	p.	article
340	A theoretical study for electronic and transport properties of covalent functionalized MoS2 monolayer	Gao, Lijuan		2017	436-437	C	p. 29-37 9 p.	article
341	A theoretical study of Cs(I) adsorption on kaolinite basal surfaces	Chen, Zhongcun			436-437	C	p.	article
342	A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields	Tao, Zhiqiang		2017	436-437	C	p. 122-131 10 p.	article
343	A theoretical study of temperature dependence of cluster formation from sulfuric acid and ammonia	Chon, Nara Lee		2014	436-437	C	p. 60-66 7 p.	article
344	A theoretical study of the mono-substituent effect of superhalogens on the geometric structure, electronic properties, and hydrolysis of cisplatin	Cheng, Xin			436-437	C	p.	article
345	A theoretical study on electronic predissociation in the NeBr2 van der Waals molecule	Hernández-Lamoneda, Ramón		2012	436-437	C	p. 86-93 8 p.	article
346	A theoretical study on laser cooling of silicon monofluoride	Xia, Wensha		2017	436-437	C	p. 29-34	article
347	A theoretical study on mechanism and kinetics of the C2H3 + C2H3 recombination and the isomerization and dissociation of butadiene	Pham, Tien V.			436-437	C	p.	article
348	A theoretical study on optical and charge transport properties of anthra-[1,2-b:4,3-b′:5,6-b″:8,7-b‴]tetrathiophene molecules	Saranya, G.		2014	436-437	C	p. 48-59 12 p.	article
349	A theoretical study on the electronic structure of PYP chromophore in low barrier hydrogen bonding model	Hirano , Kenji		2013	436-437	C	p. 163-166 4 p.	article
350	A theoretical study on the equilibrium structures, vibrational frequencies and photoelectron spectroscopy of thiocarbonyl fluoride by using density functional and coupled-cluster theories	Huang, Cyong-Huei		2014	436-437	C	p. 99-105 7 p.	article
351	A theoretical study on the interaction of orthosilicic acid with water molecules	Petrushenko, I.K.			436-437	C	p.	article
352	A theoretical study on the photodissociation mechanism of acetyl fluoride (CH3C(O)F) involving S0, S1, and T1 states	Song, Xinli		2017	436-437	C	p. 95-101 7 p.	article
353	A thermodynamic-based approach for the resolution and prediction of protein network structures	Flashner-Abramson, Efrat		2018	436-437	C	p. 20-30	article
354	A 1,3,4-thiadiazole functionalized Schiff base based fluorescence enhancement and colorimetric probe for detection of Cu (II) ion and its potential applications	Zhao, Jianing			436-437	C	p.	article
355	Atmosphere-dependent synthesis of BiVO₄ and its photocatalytic performance on methylene blue dye degradation	Chandel, Abhishek			436-437	C	p.	article
356	Atom classification with Machine Learning and correlations among physical properties of ZnO nanoparticle	Kurban, Hasan			436-437	C	p.	article
357	Atomic mass dependence of the nuclear quantum effect in NH 4 + ( H 2 O )	Kuwahata, Kazuaki			436-437	C	p.	article
358	Atomistically informed melting models for aluminum nanocrystals	Mathur, Nilkumar		2019	436-437	C	p. 188-198	article
359	Atomistically-informed modeling of point defect clustering and evolution in irradiated ThO2	Kumar Mazumder, Sanjoy			436-437	C	p.	article
360	Atomistic simulations of the swelling behaviour of Na-montmorillonite in mixed NaCl and CaCl2 solutions	Akinwunmi, Bukunmi			436-437	C	p.	article
361	Atomistic understanding of gas separation through nanoporous DDR-type zeolite membrane	Hasanzadeh, Amir			436-437	C	p.	article
362	Atom-resolved AFM imaging of calcite nanoparticles in water	Imada, Hirotake		2013	436-437	C	p. 193-195 3 p.	article
363	ATR-FTIR study of the isosbestic point in water solution of electrolytes	De Ninno, A.			436-437	C	p. 266-272	article
364	A tribute to Robin Hochstrasser	Hamm, Peter		2013	436-437	C	p. 1-7 7 p.	article
365	A true solubility versus the observed one for metal sodium in its molten chloride	Shimkevich, A.L.			436-437	C	p.	article
366	Attochemistry of hydrogen bonded amide and thioamide model complexes in protein following vertical ionization	Chandra, Sankhabrata			436-437	C	p.	article
367	Attosecond spectroscopy	Smirnova, Olga		2013	436-437	C	p. 1-2 2 p.	article
368	Attractive Bose-Einstein condensates in anharmonic traps: Accurate numerical treatment and the intriguing physics of the variance	Alon, Ofir E.		2018	436-437	C	p. 287-298	article
369	Auger decay rates of core hole states using equation of motion coupled cluster method	Ghosh, Aryya		2017	436-437	C	p. 160-164	article
370	Au nanostructures with controllable morphology in porous anodic aluminum oxide templates	Xu, Qiaoling			436-437	C	p.	article
371	Autoionization rate constants of zero electron kinetic energy Rydberg states	Mineo, H.		2012	436-437	C	p. 74-81 8 p.	article
372	Azido alkanes as convenient reporters for mobility within lipid membranes	Varner, Clyde			436-437	C	p. 20-26	article
373	Ballistic energy transport via perfluoroalkane linkers	Rubtsova, Natalia I.		2013	436-437	C	p. 16-21 6 p.	article
374	Band gap analysis and correlation with glass structure in phosphate glasses melted with various allotropes of carbon	Sendova, Mariana			436-437	C	p.	article
375	Bandgap tuning of C3N monolayer: A first-principles study	Xie, Liyan		2019	436-437	C	p. 40-46	article
376	Band structures tuning for 2D porous graphene-like sheets with specific CN stoichiometric ratio: Theoretical investigation	Yang, Chunhua		2019	436-437	C	p. 104-112	article
377	Basis set truncation further clarifies vibrational coherence spectra	Turner, Daniel B.			436-437	C	p.	article
378	Ba/Sn induced high temperature phase and microstructure evolution of silica aerogel via co-precursor sol–gel method	Shi, Tianquan			436-437	C	p.	article
379	BC cone-shaped anodes for lithium-ion batteries	Mahal, Ahmed			436-437	C	p.	article
380	Behavior of the fullerene/water system under liquid and liquid–vapor conditions: A molecular dynamics approach	Godínez-Pastor, José Luis			436-437	C	p.	article
381	Behavior of the SDS/1-butanol and SDS/2-butanol mixtures at the water/n-octane interface through molecular dynamics simulations	Parra, José G.		2019	436-437	C	p. 138-149	article
382	Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet–triplet gaps	Brückner, Charlotte		2017	436-437	C	p. 319-338	article
383	Benchmarking the stochastic time-dependent variational approach for excitation dynamics in molecular aggregates	Chorošajev, Vladimir		2016	436-437	C	p. 108-116 9 p.	article
384	Benchmark study of DFT and composite methods for bond dissociation energies in argon compounds	Yu, Li-Juan			436-437	C	p.	article
385	Benchmark theoretical study of the ionization energies, electron affinities and singlet–triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and perylene	Huzak, M.		2012	436-437	C	p. 55-64 10 p.	article
386	Beneficial effect of Au and Pt doping of the Ag-(100) surface for thiophene and pyridine adsorption from density functional theory calculations	Benbella, A.			436-437	C	p.	article
387	Benzene water interaction: From gaseous dimers to solvated aggregates	Albertí, M.		2012	436-437	C	p. 232-239 8 p.	article
388	Benzodichalcogenophene-diketopyrrolopyrrole small molecules as donors for efficient solution processable solar cells	Fan, Ling		2017	436-437	C	p. 77-84 8 p.	article
389	Benzophenone as a photoprobe of polymer films	Levin, Peter P.		2017	436-437	C	p. 23-28 6 p.	article
390	Beyond Born−Oppenheimer: A canonical perspective	Walton, Jay R.			436-437	C	p.	article
391	BH6 +: Revisiting borohydride cation with negatively charged boron and its possible implications for hydrogen storage	Srivastava, Ambrish Kumar			436-437	C	p.	article
392	BHx + (x = 1–6) clusters: In the quest for superalkali cation with B-core and H-ligands	Srivastava, Ambrish Kumar		2019	436-437	C	p. 118-123	article
393	Bichromatic fluctuations in symmetric double well potentials: Localization and control of tunneling	Kar , Susmita		2012	436-437	C	p. 12-24 13 p.	article
394	Bimolecular recombination in molecularly doped polymers	Tyutnev , Andrey		2013	436-437	C	p. 133-139 7 p.	article
395	Binary magnetic moments of all-boron fullerene B40 by positioning the Co atom	Wen, T.Z.			436-437	C	p.	article
396	Binding affinity of the L-742,001 inhibitor to the endonuclease domain of A/H1N1/PA influenza virus variants: Molecular simulation approaches	Nguyen, Hung		2018	436-437	C	p. 26-36	article
397	Binding energies of van der Waals complexes at non-equilibrium geometries	Arabi, Alya A.			436-437	C	p.	article
398	Binding of SARS-COV-2 (COVID-19) and SARS-COV to human ACE2: Identifying binding sites and consequences on ACE2 stiffness	Faisal, H.M. Nasrullah			436-437	C	p.	article
399	Binding sites of Zantrin inhibitors to the bacterial cell division protein FtsZ: Molecular docking and ab initio molecular orbital calculations	Sogawa, Haruki			436-437	C	p.	article
400	Binuclear ruthenium(II) complexes for amyloid fibrils recognition	Hanczyc, Piotr		2014	436-437	C	p. 1-4 4 p.	article
401	BiOCl/α-Fe2O3 composite for enhanced photocatalytic degradation of gaseous styrene	Yao, Jieyu			436-437	C	p.	article
402	Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods	Shen, Jun		2012	436-437	C	p. 180-202 23 p.	article
403	Bipolar magnetic semiconductor materials based on 2D Fe2O3 lattice	Pang, Zhao-xia			436-437	C	p.	article
404	Biradical and triradical organic magnetic molecules as spin filters and rectifiers	Zhu, L.		2012	436-437	C	p. 1-8 8 p.	article
405	BiSbWO6: Properties of a mixed 5s/6s lone-pair-electron system	Bainglass, Edan			436-437	C	p.	article
406	Blue-Green-Black phosphorene allotropes conversion: Energetically easy and potentially promising	Maatallah, Mohamed			436-437	C	p. 103-107	article
407	Blue luminescent properties of Ce3+/Gd3+ co-doped NaBaBO3 phosphors	Lu, Shuang			436-437	C	p.	article
408	Blue-shift of the C-H stretching vibration in CHF3-H2O complex: Matrix isolation infrared spectroscopy and ab initio computations	Gopi, R.		2016	436-437	C	p. 36-45 10 p.	article
409	Boosting catalytic oxidation of propane over mixed-phase CoO-Co3O4 nanoparticles: Effect of CoO	Liu, Zhao			436-437	C	p.	article
410	Boosting charge transfer of polymer with reduced graphene oxide for efficient NH4 + storage	Su, Zihan			436-437	C	p.	article
411	Born effective charges and electric polarization in bulk ε-Fe2O3: An ab-initio approach	Ahamed, Imran			436-437	C	p.	article
412	Bosonic quantum dynamics following a linear interaction quench in finite optical lattices of unit filling	Mistakidis, S.I.			436-437	C	p. 106-115	article
413	Branching and competition of ultrafast photochemical reactions of cyclooctatriene and bicyclooctadiene	Kosma, Kyriaki		2015	436-437	C	p. 111-119 9 p.	article
414	Bray–Liebhafsky oscillatory reaction in the radiofrequency electromagnetic field	Stanisavljev, Dragomir R.		2014	436-437	C	p. 1-4 4 p.	article
415	Breathing Raman modes in Ag2S nanoparticles obtained from F9 zeolite matrix	Delgado-Beleño, Y.		2015	436-437	C	p. 106-110 5 p.	article
416	Bridging the gap between quantum Monte Carlo and F12-methods	Chinnamsetty, Sambasiva Rao		2012	436-437	C	p. 36-44 9 p.	article
417	Bright, blue fluorescent carbon dots for sensitive and selective detection of folic acid	Cai, Zhifeng			436-437	C	p.	article
418	Broadband photosensing using p-type cupric oxide nanorods/conducting polymer Schottky junction	Dhar, Saurab			436-437	C	p.	article
419	Broadband red emission in disordered Sr2LaGaO5:Eu2+ phosphors	Gu, Xuan			436-437	C	p.	article
420	Broadband ultrafast transient absorption of iron (III) tetraphenylporphyrin chloride in the condensed phase	Rury, Aaron S.		2013	436-437	C	p. 220-228 9 p.	article
421	Calcium cation enhanced cathode/electrolyte interface property of Li2FeSiO4/C cathode for lithium-ion batteries with long-cycling life	Qu, Long		2018	436-437	C	p. 1-13	article
422	Calculating scattering cross sections in the near field: Analytic proof and numerical verification	Hu, Zixuan		2013	436-437	C	p. 14-17 4 p.	article
423	Calculation of cross second virial coefficients using ab initio intermolecular potential energy surfaces for dimer H2-N2	Van Tat, Pham		2019	436-437	C	p. 208-221	article
424	Calculation of electron capture probability of energetic protons colliding with rare-gas atoms: A comparison study on four methods	Wang, Feng			436-437	C	p.	article
425	Calculation of intermolecular potentials for H2 H2 and H2 O2 dimers ab initio and prediction of second virial coefficients	Pham Van, Tat		2015	436-437	C	p. 171-179 9 p.	article
426	Calculation of second virial coefficients using ab initio intermolecular pair potentials for F2-F2 and H2-F2 dimers	Van, Tat Pham		2017	436-437	C	p. 67-80	article
427	Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator	Brandt, Sven		2015	436-437	C	p. 7-16 10 p.	article
428	Calculation of the two-electron Darwin term using explicitly correlated wave functions	Middendorf, Nils		2012	436-437	C	p. 146-151 6 p.	article
429	Calculation of third-order signals via driven Schrödinger equations: General results and application to electronic 2D photon echo spectroscopy	Krčmář, Jindřich		2013	436-437	C	p. 53-62 10 p.	article
430	Calculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method	Klooster, Rob		2012	436-437	C	p. 122-127 6 p.	article
431	Calculation of Zeeman splitting and Zeeman transition energies of spherical quantum dot in uniform magnetic field	Çakır, Bekir		2016	436-437	C	p. 61-68 8 p.	article
432	Calculations of NMR properties for sI and sII clathrate hydrates of carbon dioxide	Siuda, Paweł		2014	436-437	C	p. 31-41 11 p.	article
433	Calix[4]pyrrole based scrupulous probe for track on of tryptophan: Host-guest interaction, in silico modeling and molecular docking insights	Desai, Ajay L.			436-437	C	p.	article
434	Can density functional theory ‘Cope’ with highly fluxional shapeshifting molecules?	Karton, Amir			436-437	C	p.	article
435	Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2X n π–π complexes?	Vamhindi, Berthelot Saïd Duvalier Ramlina		2017	436-437	C	p. 12-19 8 p.	article
436	Can different counter ions and their concentration modify the structural characteristics of aqueous solutions of uranyl ions? Atomistic insights from molecular dynamics simulations	Singh, Amrit Pal			436-437	C	p.	article
437	Can the equilibrium interfacial tensions be more in magnitude than non-equilibrium ones? Comment on “Electrocapillarity and zero-frequency differential capacitance at the interface between mercury and ionic liquids measured using the pendant drop method” by N. Nishi et al. [Phys. Chem. Chem. Phys., 2015, 17, 5219]	Kadis, Rouvim			436-437	C	p. 175-176	article
438	Can water be a catalyst on the HO2 +H2O+O3 reactive cluster?	Viegas, Luís P.		2012	436-437	C	p. 17-22 6 p.	article
439	Carbazole based D-πi-π-A dyes for DSSC applications: DFT/TDDFT study of the influence of πi-spacers on the photovoltaic performance	Britel, Omar			436-437	C	p.	article
440	Carbon and oxygen isotopic fractionation in the products of low-temperature VUV photodissociation of carbon monoxide	Chakraborty, Subrata		2018	436-437	C	p. 78-86	article
441	Carbonate radical anion as an efficient reactive oxygen species: Its reaction with guanyl radical and formation of 8-oxoguanine	Yadav, Amarjeet		2012	436-437	C	p. 76-88 13 p.	article
442	Carbon dioxide interacting with rare gases: Insights from high-level ab initio calculations of polarizability and hyperpolarizability effects	Haskopoulos, Anastasios		2016	436-437	C	p. 90-103 14 p.	article
443	Carbon nanotube assisted highly selective separation of organic liquid mixtures	Medesety, Padmesh			436-437	C	p.	article
444	Carbon nanotube proximity influences rice DNA	Katti, Dinesh R.		2015	436-437	C	p. 17-22 6 p.	article
445	Carbonyl sulfide and dimethyl sulfide adsorption studies on novel square-octagon antimonene sheets – A first-principles study	Nagarajan, V.			436-437	C	p.	article
446	Carborane superhalide bases and their conjugate Brønsted-Lowry Superacids: Electron binding energies and Dyson orbitals	Díaz-Tinoco, Manuel		2019	436-437	C	p. 77-84	article
447	CASPT2//CASSCF studies on mechanistic photophysics of 3-hydroxyflavone	Chang, Xue-Ping			436-437	C	p.	article
448	Catalyst-free synthesis of sodium amide nanoparticles encapsulated in silica gel	Ogilvie, Alexander D.		2013	436-437	C	p. 61-65 5 p.	article
449	Catalytic mechanisms and metal ion specificity of class II fructose-1,6-bisphosphatases: A QM/MM study	Wang, Jian			436-437	C	p.	article
450	Catalytic oxidation mechanism of CO on FeN2-doped graphene	Liu, Meiling			436-437	C	p.	article
451	Catalytic performance of metal chloride for dehydrochlorination of trichloroethane	Ge, Xiang			436-437	C	p.	article
452	Catalytic performance of Pt3Ni cluster toward ethane activation	Liu, Ting-Hao			436-437	C	p.	article
453	Cation ⋯ anion bonding interactions in 1–Ethyl–3–Methylimidazolium based ionic liquids	Correa, Edison			436-437	C	p.	article
454	Cation effect investigation on electronic structure, magnetic and optical properties of Li2Pb2CuB4O10	Yang, Zhihua		2015	436-437	C	p. 60-63 4 p.	article
455	Cd/Hg cationic substitution in magic-sized CdSe clusters: Optical characterization and theoretical studies	Antanovich, Artsiom		2015	436-437	C	p. 32-40 9 p.	article
456	CdS x Se1− x nanowhiskers sensitized Nitrogen-doped TiO2: 3D-branched photoelectrode and its photoelectrochemical properties	Zhang, Qi		2016	436-437	C	p. 79-87 9 p.	article
457	CeO2 nanosheets for high performance aqueous battery systems	Zhu, Fenghua			436-437	C	p.	article
458	Chain-scission degradation mechanisms during sulfonation of aromatic polymers for PEMFC applications	Hu, Yidong			436-437	C	p.	article
459	Change in the electrical conductivity of SnO2 crystal from n-type to p-type conductivity	Villamagua, Luis		2015	436-437	C	p. 71-77 7 p.	article
460	Change point analysis of matrix dependent photoluminescence intermittency of single CdSe/ZnS quantum dots with intermediate intensity levels	Schmidt, Robert		2012	436-437	C	p. 9-14 6 p.	article
461	Changes in the 13C NMR spectra of tetra-n-butylammonium chloride by clathrate hydration	Kida, Masato		2019	436-437	C	p. 233-237	article
462	Channel-facilitated molecular transport: The role of strength and spatial distribution of interactions	Uppulury, Karthik		2016	436-437	C	p. 34-41 8 p.	article
463	Characterisation of hydrocarbonaceous overlayers important in metal-catalysed selective hydrogenation reactions	Lennon, David		2013	436-437	C	p. 49-53 5 p.	article
464	Characteristic features of water dynamics in restricted geometries investigated with quasi-elastic neutron scattering	Osti, N.C.		2016	436-437	C	p. 1-8 8 p.	article
465	Characteristic NMR spectra of proton transfer in protonated water clusters	Lao-ngam, Charoensak		2013	436-437	C	p. 50-61 12 p.	article
466	Characteristics of entrapped jet and cavity instability following the water entry of a superhydrophobic sphere	Mulbah, Christian			436-437	C	p.	article
467	Characteristics of K+ and Rb+ as “structure-breaking” ions in dilute aqueous solution: Insights from ONIOM-XS MD simulations	Sripa, Pattrawan		2016	436-437	C	p. 72-80 9 p.	article
468	Characteristics of methylammonium ion (CH3NH3 +) in aqueous electrolyte solution: An ONIOM-XS MD simulation study	Chaiyasit, Prangthong		2017	436-437	C	p. 91-101 11 p.	article
469	Characteristic Substitution Shift Model (CSSM) in the CCFDF (Charge-Charge Flux-Dipole Flux) model for the dipole moment derivatives of molecules X2CY (X = F, cl; Y = O, S)	Faria, Sergio H.D.M.			436-437	C	p.	article
470	Characterization of binding constants and repair quantum yields of cyclobutane pyrimidine dimer by various class II DNA photolyase mutations	Yan, Luyao			436-437	C	p.	article
471	Characterization of competing halogen-bonding and hydrogen-bonding motifs in the acetonitrile/hydrogen iodide dimer	Perkins, Morgan A.			436-437	C	p.	article
472	Characterization of CZO thin films prepared by Sol – Gel dip coating technique with varied concentrations and annealed at different temperatures	Mohan, Mahitha			436-437	C	p.	article
473	Characterization of electronic structure, magnetism, and electric field manipulation in non-metal doped monolayer 1T-HfS2	Bao, Jinlin			436-437	C	p.	article
474	Characterization of luminescence properties of exfoliated mica via sonication technique	Park, Suyoung		2019	436-437	C	p. 238-241	article
475	Characterization of molecular organization in pentacene thin films on SiO2 surface using infrared spectroscopy, spectroscopic ellipsometry, and atomic force microscopy	Frątczak, E.Z.		2015	436-437	C	p. 49-56 8 p.	article
476	Characterization of the binding interaction of anti-malarial alkaloid cryptolepine with HSA under physiological conditions using multi-spectroscopic and molecular docking techniques	Chowdhury, Susmita			436-437	C	p.	article
477	Characterization of the coherent dynamics of bacteriochlorophyll a in solution	Meneghin, Elena		2019	436-437	C	p. 85-91	article
478	Characterization of the protolysis equilibria of 1-naphthoylhydrazide and of its oxidation mechanism by hexachloroiridate(IV) in aqueous solution	Jiang, Chen			436-437	C	p.	article
479	Characterization of water structure in carbon nanotubes by various order parameters	Kong, Zhe			436-437	C	p.	article
480	Characterization the performances of twofold resveratrol integrated compounds in binding with SIRT1 by molecular dynamics simulation and molecular mechanics/generalized born surface area (MM/GBSA) calculation	Shi, Shanshan			436-437	C	p.	article
481	Charge carrier dynamics study and morphology optimization in solvent annealed CH3NH3PbI3 perovskite for air processed stable solar cell application	Raghav, Anubhav		2019	436-437	C	p.	article
482	Charge conductivity in donor–acceptor polymer dispersions measured with time-resolved terahertz spectroscopy	Magnanelli, Timothy J.			436-437	C	p.	article
483	Charge-consistent redefinition of Fock integrals	Ohnishi, Yu-ya		2012	436-437	C	p. 152-156 5 p.	article
484	Charge distribution in oxygen ⋅ fluorobenzene complex anions [O 2 ⋅ C 6 H 6 − n F n ] − ( n = 0–6)	Davis, Jeremy U.			436-437	C	p.	article
485	Charge-inverted hydrogen bond vs. other interactions possessing a hydridic hydrogen atom	Jabłoński, Mirosław		2014	436-437	C	p. 76-84 9 p.	article
486	Charge migration kinetics at a nanoscale ZnO/molecule interface structure: A stochastic Schrödinger equation approach	Plehn, Thomas		2018	436-437	C	p. 187-192	article
487	Charge oscillation dynamics in various imidazolium based ion pairs and their time scale	Selvaraj, Blessy Rani			436-437	C	p.	article
488	Charge reversal and anion effects during adsorption of metal ions at clay surfaces: Mechanistic aspects and influence factors	Huang, Xiaoxiao			436-437	C	p.	article
489	Charge reversal in the collapse of polyelectrolyte star brushes under an electric field	Wang, Tianbao			436-437	C	p.	article
490	Charge separated states and singlet oxygen generation of mono and bis adducts of C60 and C70	Dallas, Panagiotis		2016	436-437	C	p. 28-39 12 p.	article
491	Charge transfer and electronic relaxation effects in the photoemission of EMIM-DCA ionic liquid vapor	Kuusik, Ivar			436-437	C	p.	article
492	Charge-transfer contributions to the excitonic coupling matrix element in BODIPY-based energy transfer cassettes	Spiegel, J. Dominik		2017	436-437	C	p. 265-276	article
493	Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches	Ramakrishnan, Raghunathan		2015	436-437	C	p. 24-29	article
494	Charge transmission through a molecular junction: Voltage pulse induced transient currents	Zelinskyy, Yaroslav		2014	436-437	C	p. 17-29 13 p.	article
495	Charge transport properties of a twisted DNA molecule: A renormalization approach	de Almeida, M.L.		2016	436-437	C	p. 48-54 7 p.	article
496	Chemical evolution of protein folding in amino acids	Pinčák, Richard			436-437	C	p.	article
497	Chemical identification of the amyloid peptide aggregation-prone Al(III)-peptide complexes by resonance Raman signatures: A computational study	Tian, Baoling			436-437	C	p. 1-6	article
498	Chemical insights into the initial thermolysis reactions of [2,2’-bi(1,3,4-oxadiazole)]-5,5’-dinitramide (ICM-101) from quantum chemical modeling	Zhu, Shuangfei			436-437	C	p.	article
499	Chemical oscillations in non-isothermal chemical self-replication	Peacock-López, Enrique			436-437	C	p.	article
500	Chemical physics of low temperature plasmas (in honour of Mario Capitelli)	Gorse, Claudine		2012	436-437	C	p. 1-2 2 p.	article
501	Chemical potential and free energy of nanoconfined water in Newton black films	Di Napoli, S.			436-437	C	p. 246-251	article
502	Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach	Kustova, Elena V.		2014	436-437	C	p. 82-94 13 p.	article
503	Chemical spectroscopy using neutrons	Brown, Craig M.		2013	436-437	C	p. 1-2 2 p.	article
504	Chemical surface modification of carbon dots with Germanium: A highly sensitive and selective ratiometric fluorescence probe for Mg2+ detection using DFT and TD-DFT	Kiani, Samaneh			436-437	C	p.	article
505	Chemical synthesis in acetonitrile containing discharges. Insights from photoionization experiments with synchrotron radiation	Ascenzi, Daniela		2012	436-437	C	p. 269-277 9 p.	article
506	Chirality effect on nearly half-metallic properties in systematic endo-doping of 3d transition metals of narrow carbon nanotubes	Malehmir, M.		2016	436-437	C	p. 62-68 7 p.	article
507	Chirality recognition and separation of 4-ethynyltriphenylamine induced by chiral Kagomé network on Cu (111)	Yan, Luyao			436-437	C	p.	article
508	Chiral recognition of Propranolol enantiomers by β-Cyclodextrin: Quantum chemical calculation and molecular dynamics simulation studies	Ghatee, Mohammad Hadi		2014	436-437	C	p. 5-13 9 p.	article
509	Chlorine atom formation dynamics in the dissociation of halogenated pyridines after photoexcitation at 235nm: A resonance enhanced multiphoton ionization-time of flight (REMPI-TOF) study	Srinivas, D.		2016	436-437	C	p. 208-217 10 p.	article
510	Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study	Campetella, M.		2016	436-437	C	p. 24-31 8 p.	article
511	Choline chloride-Urea based deep eutectic Solvent: Characterization, interfacial behavior and Synergism in binary (surfactant) systems	Lakshmi Papa Rao, Goru			436-437	C	p.	article
512	Chromogenic and fluorogenic Schiff base chemosensor for nano scale level fluoride detection with logical interpretation	Ghosh, Pritam		2016	436-437	C	p. 103-109 7 p.	article
513	Cicularly discretized coherent state representation and its application in quantum physics	Feng, Hua			436-437	C	p.	article
514	Classical density functional calculation of radial distribution functions of liquid water	Tanaka, Shigenori		2014	436-437	C	p. 18-22 5 p.	article
515	Classical oscillators in the control of quantum tunneling: Numerical experiments	Kar, Susmita		2016	436-437	C	p. 185-197 13 p.	article
516	Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster	Arbelo-González, W.		2012	436-437	C	p. 117-121 5 p.	article
517	Cluster approach to scattering in MoS2 photoemission	Ambrosio, M.J.			436-437	C	p.	article
518	Cluster formation and percolation in ethanol-water mixtures	Gereben, Orsolya		2017	436-437	C	p. 1-8	article
519	Cluster growth mechanisms in Lennard-Jones fluids: A comparison between molecular dynamics and Brownian dynamics simulations	Jung, Jiyun		2015	436-437	C	p. 1-9 9 p.	article
520	Clustering of amines and hydrazines in atmospheric nucleation	Li, Siyang		2016	436-437	C	p. 198-207 10 p.	article
521	Clusters of exceptional points for a laser control of selective vibrational transfer	Lefebvre, R.		2012	436-437	C	p. 111-116 6 p.	article
522	Coal derived graphene as an efficient supercapacitor electrode material	Singh, Arvind			436-437	C	p.	article
523	Coalesced nanomorphology, in situ, and ex situ applications of self assembled Gallium droplets grown by metal organic chemical vapor deposition	Lohani, J.		2017	436-437	C	p. 175-182 8 p.	article
524	Coarse-grain cross sections for rovibrational excitation and dissociation of the N 2 - N system	Torres, Erik			436-437	C	p.	article
525	Coarse-graining of proteins based on elastic network models	Sinitskiy, Anton V.		2013	436-437	C	p. 165-174 10 p.	article
526	Coarse-grain model for internal energy excitation and dissociation of molecular nitrogen	Magin, Thierry E.		2012	436-437	C	p. 90-95 6 p.	article
527	Cobalt-molybdenum binary metal sulfide wrapped by reduced graphene oxide for advanced sodium ion anode material	Fu, Yinghua			436-437	C	p.	article
528	Cobalt, nickel and copper doped non-stoichiometric cadmium gallate as a prominent magnetic and photocatalytic material	Gupta, Pankaj			436-437	C	p.	article
529	CO2 capture from CH4–CO2 mixture by gas–solid contact with tetrahydrofuran clathrate hydrate	Kida, Masato			436-437	C	p.	article
530	Coherent destruction of tunneling with optimally designed polychromatic external field	Ghosh, Subhasree		2013	436-437	C	p. 73-79 7 p.	article
531	Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method	Vendrell, Oriol			436-437	C	p. 55-65	article
532	Coherent electron transfer in polyacetylene	Psiachos, D.		2014	436-437	C	p. 8-16 9 p.	article
533	Coherent optical phonons in pure and Pr3+ doped YAG crystal studied by Optical Kerr Effect spectroscopy: Temperature and concentration dependence	Polok, K.		2014	436-437	C	p. 119-127 9 p.	article
534	Coherent phonons in carbon nanotubes and graphene	Kim, J.-H.		2013	436-437	C	p. 55-80 26 p.	article
535	Coherent spin transport in a DNA molecule	Matsuura, Yukihito		2020	436-437	C	p.	article
536	Coherent spin transport in a multi-heme protein molecule	Matsuura, Yukihito			436-437	C	p.	article
537	Coherent spin transport in a natural helical protein molecule	Matsuura, Yukihito			436-437	C	p.	article
538	Coherent wavepacket motion in an ultrafast electron transfer system monitored by femtosecond degenerate four-wave-mixing and pump–probe spectroscopy	Nagasawa, Yutaka		2014	436-437	C	p. 68-76 9 p.	article
539	Coincidence photoelectron and Auger-electron spectral behaviors of Auger cascade decay	Ohno , Masahide		2012	436-437	C	p. 137-147 11 p.	article
540	Collective effect of light-induced and natural nonadiabatic phenomena in the dissociation dynamics of the NaI molecule	Csehi, András			436-437	C	p. 91-97	article
541	Collective excitations of dipolar gases based on local tunneling in superlattices	Cao, Lushuai		2017	436-437	C	p. 303-310	article
542	Collective THz dynamics in living Escherichia coli cells	Sebastiani, F.		2013	436-437	C	p. 84-88 5 p.	article
543	Collisional state-changing of OH− rotations by interaction with Rb atoms in cold traps	González-Sánchez, L.		2015	436-437	C	p. 111-118 8 p.	article
544	Colloidal stability of silica and graphite in aqueous suspensions	Liu, Lingyun		2019	436-437	C	p.	article
545	Colorimetric chemical sensing properties of 3-amino-4-hydroxybenzenesulfonic acid-based Schiff bases containing electron donor–acceptor groups	Yildiz, Elif Akhuseyin			436-437	C	p.	article
546	Color point tuning for Ce3+ and Tb3+ activated Sr5(BO3)3F phosphors	Fu, Jiawei			436-437	C	p.	article
547	Colour tuning and energy transfer pathways in MgAl2O4 triply doped with 0.1% Ce3+, 0.1% Eu2+, x% Tb3+ ( 0 ⩽ x ⩽ 2 % ) nanocrystals synthesized using sol-gel process	Motloung, S.V.		2017	436-437	C	p. 75-86	article
548	Combined effect of weak electric field and ions on critical water cluster: Insight from molecular dynamics simulation	Zhang, Ming			436-437	C	p.	article
549	Combined infrared spectroscopic and computational study on simpler capsaicin derivatives and their anion intermediates in the scavenging of free radicals	Yancheva, D.			436-437	C	p.	article
550	Combined temperature- and magnetic field-induced optical responses of phosphorene	Khoa, Doan Quoc		2019	436-437	C	p. 113-117	article
551	Comment on “An equation of state for gaseous argon determined from the speed of sound”	Wiebke, J.		2013	436-437	C	p. 43-44 2 p.	article
552	Comment on “An equation of state for gaseous argon determined from the speed of sound”	Monago , K.O.		2013	436-437	C	p. 45-48 4 p.	article
553	Comment on “Re-evaluation of the century-old Langmuir isotherm for modeling adsorption phenomena in solution”, published by Azizian et al. [Chemical physics 513 (2018) 99–104]	Kopinke, Frank-Dieter		2019	436-437	C	p. 265-267	article
554	Comment on “Relativistic spinless energies and thermodynamic properties of sodium dimer molecule”	Fernández, Francisco M.			436-437	C	p.	article
555	Comment on “Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity” [Chem. Phys. 559 (2022) 111540]	Pichierri, Fabio			436-437	C	p.	article
556	Comment on: “Theoretical prediction of molar entropy of modified shifted Morse potential for gaseous molecules”	Fernández, Francisco M.			436-437	C	p.	article
557	Comments on “Re-evaluation of the century-old Langmuir isotherm for modeling adsorption phenomena in solution”	Salvestrini, Stefano		2019	436-437	C	p. 270-271	article
558	Comment to the paper “Quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity”	Martínez-Sánchez, Michael-Adán			436-437	C	p.	article
559	Compact modeling of highly excited linear aggregates using generalized quantum particles	Bubilaitis, Vytautas			436-437	C	p.	article
560	Comparative investigation of polyhedral water cages of (H2O) n (n =20, 24, and 28) encaging CH4 and SF6 as guest molecules	Park, Sung Soo		2014	436-437	C	p. 128-136 9 p.	article
561	Comparative study of charge characteristics in PCPDTBT:fullerenes solar cells	Hu, Rong			436-437	C	p.	article
562	Comparative study of the photodynamics of malonaldehyde and acetylacetone	Sapunar, Marin		2018	436-437	C	p. 622-627	article
563	Comparative study of the physicochemical properties of aqueous solutions of the hydrocarbon and fluorocarbon surfactants and their ternary mixtures	Szymczyk, Katarzyna		2014	436-437	C	p. 42-47 6 p.	article
564	Comparative study on model parameter evaluations for the energy transfer dynamics in Fenna–Matthews–Olson complex	Suzuki, Yosuke			436-437	C	p.	article
565	Comparative X-ray diffraction and infrared spectroscopy study of Zn–Al layered double hydroxides: Vanadate vs nitrate	Salak, Andrei N.		2012	436-437	C	p. 102-108 7 p.	article
566	Comparing study of picene thin films on SnSe and Au(1 1 1) surfaces	Shao, Xiji			436-437	C	p.	article
567	Comparing vibrational sum frequency generation responses at fused silica and fluorite/liquid ethanol interfaces	Hou, Jian			436-437	C	p.	article
568	Comparison analysis of wet digestion and stripping methods on recovery of lithium isotopes in the loaded phase	Liu, Bing			436-437	C	p.	article
569	Comparison of adsorption ability of PAM, APAM and CPAM on Sodium-Montmorllonite surface: A molecular dynamics study	Xu, Jiafang			436-437	C	p.	article
570	Comparison of approximate methods for computation of the concerted adiabatic electronic and nuclear fluxes in aligned H 2 + ( 2 Σ g + )	Diestler, Dennis J.		2018	436-437	C	p. 67-77	article
571	Comparison of atmospheric reactions of NH3 and NH2 with hydroxyl radical on the singlet, doublet and triplet potential energy surfaces, kinetic and mechanistic study	Vahedpour, Morteza		2018	436-437	C	p. 51-69	article
572	Comparison of HfCl4, HfI4, TEMA-Hf, and TDMA-Hf as precursors in early growing stages of HfO2 films deposited by ALD: A DFT study	Cortez-Valadez, M.		2016	436-437	C	p. 81-88 8 p.	article
573	Comparison of hydrogen atom and hydroxyl radical reactions with simple aromatic molecules in aqueous solution	Homlok, Renáta			436-437	C	p.	article
574	Comparison of internal conversion dynamics of azo and azoxy energetic moieties through the (S1/S0)CI conical Intersection: An ab initio multiple spawning study	Ghosh, Jayanta			436-437	C	p. 221-229	article
575	Comparison of methods to study excitation energy transfer in molecular multichromophoric systems	Bondarenko, Anna S.			436-437	C	p.	article
576	Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections	Titov, Evgenii		2020	436-437	C	p.	article
577	Comparison of noncovalent interactions of zigzag and armchair carbon nanotubes with heterocyclic and aromatic compounds: Imidazole and benzene, imidazophenazines, and tetracene	Zarudnev, Eugene S.		2017	436-437	C	p. 68-77 10 p.	article
578	Comparison of spectral and temporal fluorescence parameters of aqueous tryptophan solutions frozen in the light and in the dark	Gorokhov, Vladimir V.			436-437	C	p.	article
579	Comparison of the supercollisions of the deuterium atom with acetylene and ethylene	Peng, Tianze			436-437	C	p.	article
580	Comparison of the time of flight current shapes predicted by hopping and multiple trapping models	Tyutnev, Andrey P.		2014	436-437	C	p. 1-7 7 p.	article
581	Competing hydrogen bonding and halogen bonding interactions in crystal engineering: A case study of bi-functional donor molecules	Ding, Hairong		2014	436-437	C	p. 30-37 8 p.	article
582	Competing intermolecular interactions of artemisinin-type agents and aspirin with membrane phospholipids: Combined model mass spectrometry and quantum-chemical study	Pashynska, Vlada		2015	436-437	C	p. 81-87 7 p.	article
583	Competing intramolecular NH ⋯ OC hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4-oxopentan-2-yl) thiourea analyzed by experimental and theoretical methods	Saeed, Aamer		2014	436-437	C	p. 39-46 8 p.	article
584	Competition between lone pair–π, halogen bond, and hydrogen bond in adducts of water with perhalogenated alkenes C2Cl n F4− n (n =0–4)	Adhikari, Upendra		2014	436-437	C	p. 53-63 11 p.	article
585	Competition of branch-to-core exciton localization and interfacial electron transfer in CdSe tetrapods	Yang, Ye		2016	436-437	C	p. 32-38	article
586	Competitive adsorption of water and collector molecules on sulfide mineral surfaces	Liu, Yingchao			436-437	C	p.	article
587	Compilation and deciphering MoS2’s physical properties: Accurate benchmark DFT simulations and assessment of advanced quantum methods	Rekik, Najeh			436-437	C	p.	article
588	Complementary experimental-simulational study of surfactant micellar phase in the extraction process of metallic ions: Effects of temperature and salt concentration	Soto-Ángeles, Alan Gustavo		2018	436-437	C	p. 15-25	article
589	Complete elimination of pump scattering in transient absorption spectroscopy using phase and amplitude modulation	Yue, Jianing			436-437	C	p.	article
590	Complex-valued derivative propagation method with approximate Bohmian trajectories for quantum barrier scattering	Chou, Chia-Chun		2015	436-437	C	p. 160-170 11 p.	article
591	Composite electrode of TiO2 particles with three kinds of crystal phases for significantly improved performance of dye-sensitized solar cells	Peng, Tingxin			436-437	C	p.	article
592	Compound model-morphed potentials contrasting OC–79Br35Cl with the halogen bonded OC–35Cl2 and hydrogen-bonded OC–HX (X= 19F, 35Cl, 79Br)	Rivera-Rivera, Luis A.		2013	436-437	C	p. 162-169 8 p.	article
593	Comprehensive analysis of structural, electronic, optical, and thermoelectric properties of X2PtCl6 (X = K, Cs, Rb): A first-principles DFT study	Ahmed, Fahim			436-437	C	p.	article
594	Comprehensive DFT study of AgBeCl₃ perovskite structural and mechanical properties, electronic, optical, thermoelectric behavior, and dynamical stability via phonon analysis	Akeb, Y.			436-437	C	p.	article
595	Computational approaches to the interpretation of NMR data for studying protein dynamics	Markwick, Phineus R.L.		2012	436-437	C	p. 124-134 11 p.	article
596	Computational comparison of oxidation stability: Sulfones vs. fluorinated sulfones	Du, Fuming			436-437	C	p.	article
597	Computational comparison of stepwise oxidation and O–O bond formation in mononuclear ruthenium water oxidation catalysts	Jarvis, Emily A.A.		2013	436-437	C	p. 8-16 9 p.	article
598	Computational design of a light-driven imine-based motor with bulky chiral stator	Amatatsu, Yoshiaki		2018	436-437	C	p. 51-60	article
599	Computational design of photoswitchable anion receptors: Red-shifted and bistable di-ortho-fluoro di-ortho-chloro azobenzene derivatives	Lv, Shasha			436-437	C	p.	article
600	Computational insight into pnictogen bonds in the self-assembly of caged pnictogen compounds	Tian, Ye			436-437	C	p.	article
601	Computational investigation of electronic, thermoelectric, and optical properties in Cs2Li B i X 6 (X = Br, I) for energy harvesting applications	Rafiq, Qaiser			436-437	C	p.	article
602	Computational investigation of hydrogen adsorption/desorption on Zr–η2–(C2H2) and its ion	Ma, Li-Juan		2015	436-437	C	p. 57-62 6 p.	article
603	Computational investigation of lithium intercalation in single-walled zigzag blue phosphorene nanotubes	Hao, Junhua			436-437	C	p.	article
604	Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons	Cardia, R.		2016	436-437	C	p. 8-13 6 p.	article
605	Computational investigation on adsorption and activation of atmospheric pollutants CO, NO and SO on small cobalt clusters	Shabeeb, Muhammed			436-437	C	p.	article
606	Computational investigations of optoelectronic properties of K2ScAuX6 (X = Cl, Br) double perovskites for energy harvesting devices	Mustafa, Ghulam M.			436-437	C	p.	article
607	Computational prediction of sublimation enthalpy of organic compounds using the Monte Carlo technique	Makari, Zahrah			436-437	C	p.	article
608	Computational studies of fibrillation induced selective cytotoxicity of cross- α amyloid – Phenol Soluble Modulin α 3	Das, Mitradip			436-437	C	p.	article
609	Computational studies of 4-nitrophenyl- and 2-benzothiazolyl-substituted formazans and tetrazolium salts	Penev, Kalin I.			436-437	C	p.	article
610	Computational study of elastic, structural stability and dynamics properties of penta-graphene membrane	De Sousa, J.M.			436-437	C	p.	article
611	Computational study of graphene flakes for carbon capture	Gatica, Silvina			436-437	C	p.	article
612	Computational study of inorganic halide cubic perovskite KMnX3 (X = Cl, Br) for energy harvesting applications	Riaz, Muhammad			436-437	C	p.	article
613	Computational study of red- and blue-shifted CH⋯Se hydrogen bond in Q3CH⋯SeH2 (Q = Cl, F, H) complexes	Chopra, Pragya		2018	436-437	C	p. 54-61	article
614	Computational study of the electronic structures and photocatalytic water splitting performances of Janus aluminium chalcogenide monolayers	Li, Chao			436-437	C	p.	article
615	Computational study of the lattice type, band structure, and thermoelectric properties of LiSbX2 (X = S, Se, Te)	Hamid, Muhammad			436-437	C	p.	article
616	Computational study of the reaction mechanism and kinetics of ethyl acrylate ozonolysis in atmosphere	Sun, Yanhui		2012	436-437	C	p. 6-13 8 p.	article
617	Computational study on the ability of functionalized graphene nanosheet for nitrate removal from water	Jahanshahi, Darian		2018	436-437	C	p. 20-26	article
618	Computational study on the mechanisms of the methylketene with Cl/Br reactions in the atmosphere	Zhang, Yunju			436-437	C	p.	article
619	Computational study on the O- and Cl-loss dissociations of ClOO	Meng, Qingyong			436-437	C	p. 206-212	article
620	Computational study on the removal of trihalomethanes from water using functionalized graphene oxide membranes	Ansari, Parisa			436-437	C	p.	article
621	Computational underpinnings for the dimerization of para-aminothiophenol to dimercaptoazobenzene on copper surface	Bhadoria, Poonam			436-437	C	p.	article
622	Computational Vibrational Spectroscopy of glycine in aqueous solution – Fundamental considerations towards feasible methodologies	Lutz, Oliver M.D.		2014	436-437	C	p. 21-28 8 p.	article
623	Computation of thermophysical properties of liquid metals and alloys on the basis of generalized version of hole theory	Shrivastava, Subhash Chandra			436-437	C	p.	article
624	Concentration dependence of microstructural evolution of Zr-Pt liquid alloys: A molecular dynamics study	Guder, V.			436-437	C	p.	article
625	Concentration quenching of fluorescence in thin films of zinc-phthalocyanine	Tamošiūnaitė, Justė			436-437	C	p.	article
626	Concepts and problems in protein dynamics	Fenimore, Paul W.		2013	436-437	C	p. 2-6 5 p.	article
627	Concerted and asynchronous mechanism of ground state proton transfer in alcohol mediated 7-hydroxyquinoline	Kang, Baotao		2015	436-437	C	p. 8-12 5 p.	article
628	Concerted-asynchronous reaction path of the excited-state double proton transfer in the 7-azaindole homodimer and 6H-indolo[2,3-b]quinoline/7-azaindole heterodimer	Yamazaki, Shohei		2018	436-437	C	p. 768-778	article
629	Concerted effects of substituents in the reaction of OH with 2-, 3-, and 4-hydroxybiphenyls	Albarrán, Guadalupe			436-437	C	p.	article
630	Condensation on solid surfaces with amphiphilic micro-nanostructures by lattice Boltzmann simulation	Huang, Biao			436-437	C	p. 258-265	article
631	Confinement synthesis of hierarchical ordered macro-/mesoporous TiO2 nanostructures with high crystallization for photodegradation	Wang, Ruicong			436-437	C	p. 48-54	article
632	Conformational analysis and water dynamics: a molecular dynamics study on the survival of a β-lactoglobulin peptide in the archaeological record	Fonseca, Beatriz			436-437	C	p.	article
633	Conformational analysis of riboflavin in aqueous solution: The influence of hydrogen bonding in riboflavin and FAD(2-) molecules on fluorescence parameters	Smolin, Andrey G.			436-437	C	p.	article
634	Conformational composition of neutral leucine. Matrix isolation infrared and ab initio study	Stepanian, Stepan G.		2013	436-437	C	p. 20-29 10 p.	article
635	Conformational rearrangements in n-alkanes encapsulated within capsular self-assembly of capped carbon nanotubes	Gade, Hrushikesh M.		2019	436-437	C	p. 198-207	article
636	Conformation-specific dissociative photoionization of oxalyl chloride in the gas phase	Chu, Genbai		2013	436-437	C	p. 26-32 7 p.	article
637	Conical intersections between X 2 A 1 and A 2 B 2 electronic states of NO 2	Sardar , Subhankar		2013	436-437	C	p. 11-20 10 p.	article
638	Conical intersections involving the lowest 1 πσ ∗ state in aniline: Role of the NH2 group	Ray, Jyotirmoy		2018	436-437	C	p. 77-87	article
639	Consequences of dielectric mismatch on linear and third order nonlinear optical properties for CdS/ZnSe core/shell QD-matrix	Cherni, A.			436-437	C	p.	article
640	Consideration on crystal growth, crystal structure, and molecular dynamics of [NH2(CH3)2]2ZnCl4 crystals	Lim, Ae Ran			436-437	C	p.	article
641	Consistent multi-internal-temperatures models for nonequilibrium nozzle flows	Guy, Aurélien		2013	436-437	C	p. 15-24 10 p.	article
642	Constrained variational approach for energy derivatives in Intermediate Hamiltonian Fock-space coupled-cluster theory	Ghosh, Aryya		2012	436-437	C	p. 45-49 5 p.	article
643	Construction of dual-output molecular logic circuit based on bovine serum albumin loaded with two fluorescent compounds	Mo, Yulin			436-437	C	p.	article
644	Construction of efficient red and near-infrared thermally activated delayed fluorescence molecules via donor engineering strategy: A theoretical perspective	Zhao, Xin			436-437	C	p.	article
645	Construction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3 P)+NH(X3Σ)→NS(X2Π)+H(2 S) and N(4 S)+SH(X2Π)→NS(X2Π)+H(2 S) reactions	Sato, Kazuma		2014	436-437	C	p. 63-70 8 p.	article
646	Construction of hierarchical hetero-structured TiO2 photoanodes for dye-sensitized solar energy conversion: Case study of anatase nanobranches on rutile nanorod arrays	Jin, Zhixin		2019	436-437	C	p. 129-133	article
647	Construction of host-guest supramolecular bilayer networks at liquid/solid interfaces by scanning tunneling microscopy	Xu, Xuming			436-437	C	p.	article
648	Contact geometry and electronic transport properties of Ag–benzene–Ag molecular junctions	Li, Yang		2012	436-437	C	p. 82-86 5 p.	article
649	Contends continued				436-437	C	p.	article
650	Contends continued				436-437	C	p.	article
651	Contends continued				436-437	C	p.	article
652	content continued				436-437	C	p.	article
653	Contents			2015	436-437	C	p. iii-iv nvt p.	article
654	Contents			2014	436-437	C	p. iii-vii nvt p.	article
655	Contents			2013	436-437	C	p. iii-vii nvt p.	article
656	Contents			2014	436-437	C	p. iii-iv nvt p.	article
657	Contents			2014	436-437	C	p. iii-vi nvt p.	article
658	Contents			2014	436-437	C	p. iii-v nvt p.	article
659	Contents			2014	436-437	C	p. iii-v nvt p.	article
660	Contents			2014	436-437	C	p. iii-ix nvt p.	article
661	Contents			2013	436-437	C	p. iii-ix nvt p.	article
662	Contents			2014	436-437	C	p. iii-v nvt p.	article
663	Contents			2016	436-437	C	p. iii-v nvt p.	article
664	Contents			2016	436-437	C	p. iii-x nvt p.	article
665	Contents			2016	436-437	C	p. iii-v nvt p.	article
666	Contents			2013	436-437	C	p. v-xvi nvt p.	article
667	Contents			2014	436-437	C	p. v-x nvt p.	article
668	Contents			2017	436-437	C	p. iii-vii nvt p.	article
669	Contents			2016	436-437	C	p. iii-v nvt p.	article
670	Contents			2015	436-437	C	p. iii-viii nvt p.	article
671	Contents			2017	436-437	C	p. iii-vi nvt p.	article
672	Contents			2017	436-437	C	p. iii-viii nvt p.	article
673	Contents			2016	436-437	C	p. v-xii nvt p.	article
674	Contents			2016	436-437	C	p. v-xiii nvt p.	article
675	Contents			2016	436-437	C	p. iii-iv nvt p.	article
676	Contents			2016	436-437	C	p. iii-iv nvt p.	article
677	Contents			2015	436-437	C	p. iii-vi nvt p.	article
678	Contents			2015	436-437	C	p. iii-vii nvt p.	article
679	Contents				436-437	C	p. iii-vi	article
680	Contents			2014	436-437	C	p. iii-v nvt p.	article
681	Contents			2014	436-437	C	p. iii-vi nvt p.	article
682	Contents			2014	436-437	C	p. iii-ix nvt p.	article
683	Contents			2013	436-437	C	p. v-xiv nvt p.	article
684	Contents			2013	436-437	C	p. v-x nvt p.	article
685	Contents			2013	436-437	C	p. v-xi nvt p.	article
686	Contents			2013	436-437	C	p. iii-x nvt p.	article
687	Contents			2014	436-437	C	p. iii-vii nvt p.	article
688	Contents			2016	436-437	C	p. iii-vi nvt p.	article
689	Contents			2016	436-437	C	p. iii-v nvt p.	article
690	Contents			2015	436-437	C	p. iii-ix nvt p.	article
691	Contents			2017	436-437	C	p. iii-v nvt p.	article
692	Contents			2016	436-437	C	p. iii-viii nvt p.	article
693	Contents			2017	436-437	C	p. iii-ix nvt p.	article
694	Contents			2017	436-437	C	p. iii-iv nvt p.	article
695	Contents			2016	436-437	C	p. iii-vii nvt p.	article
696	Contents			2016	436-437	C	p. iii-iv nvt p.	article
697	Contents			2017	436-437	C	p. iii-vi	article
698	Contents			2017	436-437	C	p. iii-iv	article
699	Contents			2016	436-437	C	p. v-viii	article
700	Contents			2015	436-437	C	p. iii-v	article
701	Contents			2015	436-437	C	p. iii-vii	article
702	Contents			2017	436-437	C	p. iii-v	article
703	Contents			2017	436-437	C	p. iii-vii	article
704	Contents			2017	436-437	C	p. iii-iv nvt p.	article
705	Contents			2016	436-437	C	p. iii-v nvt p.	article
706	Contents			2016	436-437	C	p. iii-vii nvt p.	article
707	Contents			2017	436-437	C	p. iii-vi	article
708	Contents			2017	436-437	C	p. v-xvi	article
709	Contents			2015	436-437	C	p. iii-viii nvt p.	article
710	Contents			2015	436-437	C	p. iii-vi nvt p.	article
711	Contents			2015	436-437	C	p. iii-vi nvt p.	article
712	Contents			2015	436-437	C	p. iii-v nvt p.	article
713	Contents			2012	436-437	C	p. v-x nvt p.	article
714	Contents			2015	436-437	C	p. iii-vi nvt p.	article
715	Contents			2015	436-437	C	p. v-x nvt p.	article
716	Contents			2015	436-437	C	p. v-ix nvt p.	article
717	Contents			2015	436-437	C	p. v-x nvt p.	article
718	Contents			2013	436-437	C	p. v-ix nvt p.	article
719	Contents			2013	436-437	C	p. iii-v nvt p.	article
720	Contents			2013	436-437	C	p. v-xi nvt p.	article
721	Contents			2013	436-437	C	p. iii-iv nvt p.	article
722	Contents			2013	436-437	C	p. iii-v nvt p.	article
723	Contents			2013	436-437	C	p. iii-v nvt p.	article
724	Contents			2013	436-437	C	p. iii-v nvt p.	article
725	Contents			2012	436-437	C	p. vi-ix nvt p.	article
726	Contents			2012	436-437	C	p. iii-vii nvt p.	article
727	Contents			2012	436-437	C	p. iii-vii nvt p.	article
728	Contents			2012	436-437	C	p. v-ix nvt p.	article
729	Contents			2012	436-437	C	p. v-xiv nvt p.	article
730	Contents			2012	436-437	C	p. iii-vii nvt p.	article
731	Contents			2012	436-437	C	p. iii-x nvt p.	article
732	Contents			2012	436-437	C	p. iii-vi nvt p.	article
733	Contents			2012	436-437	C	p. iii-v nvt p.	article
734	Contents			2012	436-437	C	p. v- 1 p.	article
735	Contents			2012	436-437	C	p. v-xv nvt p.	article
736	Contents			2012	436-437	C	p. iii-x nvt p.	article
737	Contents			2013	436-437	C	p. iii-v nvt p.	article
738	Contents			2013	436-437	C	p. iii-vi nvt p.	article
739	Contents			2014	436-437	C	p. iii-vi nvt p.	article
740	Contents			2013	436-437	C	p. iii-vii nvt p.	article
741	Contents			2014	436-437	C	p. iii-v nvt p.	article
742	Contents			2012	436-437	C	p. iii-v nvt p.	article
743	Contents			2012	436-437	C	p. v-xi nvt p.	article
744	Contents			2014	436-437	C	p. iii-v nvt p.	article
745	Contents			2014	436-437	C	p. iii-vii nvt p.	article
746	Contents			2017	436-437	C	p. iii-iv	article
747	Contents Contents				436-437	C	p.	article
748	Contents continued				436-437	C	p.	article
749	Contents Continued				436-437	C	p.	article
750	Contents continued				436-437	C	p.	article
751	Contents continued				436-437	C	p.	article
752	Contents continued				436-437	C	p.	article
753	Contents continued				436-437	C	p.	article
754	Contents continued				436-437	C	p.	article
755	Contents continued				436-437	C	p.	article
756	Contents continued				436-437	C	p.	article
757	Contents Continued				436-437	C	p.	article
758	Contents continued				436-437	C	p.	article
759	Contents Continued				436-437	C	p.	article
760	Contents continued				436-437	C	p.	article
761	Contents continued				436-437	C	p.	article
762	Contents Continued				436-437	C	p.	article
763	Contents continued				436-437	C	p.	article
764	Contents continued				436-437	C	p.	article
765	Contents continued				436-437	C	p.	article
766	contents continued				436-437	C	p.	article
767	Contents continued				436-437	C	p.	article
768	Contents continued				436-437	C	p.	article
769	Contents continued				436-437	C	p.	article
770	contents continued				436-437	C	p.	article
771	Contents continued				436-437	C	p.	article
772	Contents continued				436-437	C	p.	article
773	Contents Continued				436-437	C	p.	article
774	Contents continued				436-437	C	p.	article
775	Contents continued				436-437	C	p.	article
776	Contents continued				436-437	C	p.	article
777	Contents continued				436-437	C	p.	article
778	Contents continued				436-437	C	p.	article
779	Contents continued				436-437	C	p.	article
780	Contents continued				436-437	C	p.	article
781	Contents continued				436-437	C	p.	article
782	Contents continued				436-437	C	p.	article
783	Contents continued				436-437	C	p.	article
784	Contents continued				436-437	C	p.	article
785	Contents continued				436-437	C	p.	article
786	Contents continued				436-437	C	p.	article
787	Contents continued				436-437	C	p.	article
788	Contents continued				436-437	C	p.	article
789	Contents continued				436-437	C	p.	article
790	Contribution to the modeling of the shear viscosity of sulfur hexafluoride (SF6): Comparative study of some representative models	Boned, C.		2013	436-437	C	p. 105-118 14 p.	article
791	Controllable power-conversion efficiency in organic-solar cells	Alsulami, Qana A.			436-437	C	p.	article
792	Controllable preparation and photocatalytic activity of hierarchical flower-like microspheres clustered by ZnO porous nanosheets	Ren, Lu			436-437	C	p.	article
793	Controlled growth of centimeter level gold nanowires via a solid-state ionics method and their SERS effect	Xu, Dapeng			436-437	C	p. 116-119	article
794	Controlled synthesis of continuous MoS2 films via space-confined vapor deposition	Tian, Dewei			436-437	C	p.	article
795	Controlled synthesis of hierarchical hollow CoLDH nanocages electrocatalysts for oxygen evolution reaction	Li, Wanfeng			436-437	C	p.	article
796	Controlled transition of microcapsules from coil conformation to globule during the expansion of the pulse jet of nanoparticle suspension of TiO2 in supercritical (CO2) polyethylene glycol solution	Lazarev, A.V.			436-437	C	p.	article
797	Controlled wetting properties of proton beam irradiated silicon nanowires	Vendamani, V.S.			436-437	C	p.	article
798	Controlling carrier dynamics at the nanoscale	Cánovas, Enrique		2016	436-437	C	p. 1- 1 p.	article
799	Controlling carrier dynamics using quantum-confined semiconductor nanocrystals	Beard, Matthew C.		2016	436-437	C	p. 1	article
800	Controlling curcumin/acrylic polymer interactions for tailored delivery systems	van Riel Neto, Francisco			436-437	C	p.	article
801	Controlling exciton decay dynamics in semiconducting single-walled carbon nanotubes by surface acoustic waves	Regler, M.E.		2013	436-437	C	p. 39-44 6 p.	article
802	Controlling harmonic distributions from H2 + driven by linearly and circularly polarized laser fields	Feng, Liqiang		2017	436-437	C	p. 12-18	article
803	Controlling placement of quantum states in phosphorene nanoribbons using ligands	Lambert, Ryan			436-437	C	p.	article
804	Control of molecular-field-free orientation steered by asymmetric phase-jump laser pulses	Cui, Peng-Fei			436-437	C	p.	article
805	Control of phospholipid flip-flop by transmembrane peptides	Kaihara, Masanori		2013	436-437	C	p. 78-83 6 p.	article
806	Control the droplet motion by using chemically stripe-patterned surfaces	Jin, Li			436-437	C	p.	article
807	Conversion mechanism and isomeric preferences of the cis and trans isomers of anti-cancer medicine carmustine; A double hybrid DFT calculation	Hadidi, Saba		2019	436-437	C	p. 39-43	article
808	Conversion of CO2 in a low-powered atmospheric microwave plasma: In-depth study on the trade-off between CO2 conversion and energy efficiency	Qin, Yue			436-437	C	p.	article
809	Cooperative dissociation of J-aggregates into monomers in the 2-isobutoxyethanol/water binary solvent with the lower critical solution temperature	Harada, Mio			436-437	C	p.	article
810	Coordinate systems and kinetic energy operators for multi-configurational time-dependent Hartree calculations studying reactions of methane	Schäpers, Daniela			436-437	C	p. 37-44	article
811	Co3O4 supported on CeO2 with specific morphologies for high efficient CO-PROX reaction	Wang, Yaqi			436-437	C	p.	article
812	CO oxidation by linear oxocarbon chains O x -C n -O x (n = 5–10, x = 1, 2): A theoretical study	Hassani, Nasim			436-437	C	p.	article
813	CO oxidation on AlAu nano-composite systems	Rajesh, C.		2018	436-437	C	p. 18-26	article
814	Copper (II) Schiff base-graphene oxide composite as an efficient catalyst for Suzuki-Miyaura reaction	Ansari, Rasheeda M.		2019	436-437	C	p. 155-160	article
815	CO quantum dynamics diffusion on Cu(100)	Zanuttini, David			436-437	C	p. 3-12	article
816	Correlation between the photocatalytic activity of CdSe nanostructured thin films with optical band gap and Urbach energy	Ghobadi, Nader			436-437	C	p.	article
817	Correlation between the size and the magnetic properties of Ag2+ clusters loaded on ceria surface and their catalytic performance in the total oxidation of propylene. EPR study	Hany, Sara		2018	436-437	C	p. 1-5	article
818	Correlation effect on electronic and lattice properties of cerium oxides: Insights from density functional theory to dynamical mean-field theory	Li, Ru-song			436-437	C	p.	article
819	Correlations of computational ionization energy with experimental oxidation potential and with antioxidant efficiencies in catechins	Nagaoka, Shin-ichi		2019	436-437	C	p. 77-83	article
820	Corrigendum to “A simplified approach for the coupling of excitation energy transfer” [Chem. Phys. 394 (1) (2012) 56–63]	Shi, Bo		2017	436-437	C	p. 105	article
821	Corrigendum to ‘Fluorescence Correlation Spectroscopy at High Concentrations using Gold Bowtie Nanoantennas’ [Chem. Phys. 406C (2012) 3–8]	Kinkhabwala, Anika A.		2013	436-437	C	p. 309- 1 p.	article
822	Corrigendum to “Heat transfer in a non-isothermal walled square closed space filled with ternary hybrid nanofluids” [Chem. Phys. 577 (2024) 112133]	Rajesh, Vemula			436-437	C	p.	article
823	Corrigendum to “Hydration numbers of perchloric acid: Estimation method based on the raoult law” [Chem. Phys. 523 (2019) 211–221]	Karelin, A.I.		2019	436-437	C	p.	article
824	Corrigendum to “Investigation of electron-induced scattering resonances using a multiconfigurational polarization propagator and a complex absorbing potential” [Chem. Phys. 564 (2023) 111712]	Das, S.			436-437	C	p.	article
825	Corrigendum to “Low-field 14N nuclear magnetic resonance for detection of dangerous liquids” [Chem. Phys. 513 (2018) 129–134]	Mozzhukhin, G.V.		2019	436-437	C	p. 273	article
826	Corrigendum to “Low temperature state-to-state vibrational kinetics of O + N2(v) and N + O2(v) collisions” [Chem. Phys. 571 (2023) 111937]	Armenise, I.			436-437	C	p.	article
827	Corrigendum to “Study of Fe-doped and glucose-capped CeO2 nanoparticles synthesized by co-precipitation method” [Chem. Phys. 561 (2022) 111617]	Taddesse, Paulos			436-437	C	p.	article
828	Corrigendum to “Substituent effects on the nonadiabatic dynamics of ethylene: π -donors and π -acceptors” [Chem. Phys. 515 (2018) 360–368]	MacDonell, Ryan J.			436-437	C	p.	article
829	Corrigendum to “Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clusters” [Chem. Phys. 482 (2017) 226–238]	Fasshauer, Elke		2018	436-437	C	p. 138	article
830	Corrigendum to “Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: A DFT investigation” [Chem. Phys. 584 (2024) 112348]	Pingak, Redi Kristian			436-437	C	p.	article
831	Corrigendum to “Wavelet-based linear-response time-dependent density-functional theory: Excited-states modeling of fluorescent compounds with UV–vis spectra calculations” [Chem. Phys. 402 (2012) 29]	Natarajan, Bhaarathi		2014	436-437	C	p. 63-64 2 p.	article
832	Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling	Jabbar, Abdullah Hasan			436-437	C	p.	article
833	Could organoaluminium complexes act as prominent TADF emitters for designing efficient diode devices? A DFT/TDA simulation study	Asiri, Jamilah A			436-437	C	p.	article
834	Counting individual ions in the air by tagging them with particles	Gorbunov, B.		2017	436-437	C	p. 1-4 4 p.	article
835	Counting single Rhodamine 6G dye molecules in organosilicate nanoparticles	Trenkmann, Ines		2012	436-437	C	p. 41-46 6 p.	article
836	Coupled influence of noise and damped propagation of impurity on linear and nonlinear polarizabilities of doped quantum dots	Ganguly, Jayanta		2015	436-437	C	p. 54-59 6 p.	article
837	Coupled radiative gasdynamic interaction and non-equilibrium dissociation for large-scale returned space vehicles	Surzhikov, S.		2012	436-437	C	p. 56-63 8 p.	article
838	Coupled rate-equation hydrodynamic simulation of a Rydberg gas Gaussian ellipsoid: Classical avalanche and evolution to molecular plasma	Haenel, Rafael		2018	436-437	C	p. 55-66	article
839	Coupling of charge-transfer excitons, Frenkel excitons, and vibrations in a two-dimensional quadratic lattice	Lalov, I.J.		2013	436-437	C	p. 127-134 8 p.	article
840	Cr-doped BaSnO3 nanoporous thin films with tunable band gap via a facile colloidal solution route	Zhang, Tong-Tong		2019	436-437	C	p. 91-98	article
841	Critical feature space for predicting the glass forming ability of metallic alloys revealed by machine learning	Deng, Binghui			436-437	C	p.	article
842	Cross-linkable fluorene-based hole transporting materials for perovskite solar cells	Kamarauskas, Egidijus			436-437	C	p.	article
843	Crossover equation of state of a multi-component fluid mixture in the vicinity of liquid-vapor critical points	Belyakov, M.Yu.			436-437	C	p. 149-155	article
844	Crossover parametric equation of state for asymmetric fluids	Bakhshandeh , Amin		2012	436-437	C	p. 32-36 5 p.	article
845	Cross sections for elastic collisions of low-energy positrons with tetrachloroethylene (C 2 Cl 4 ) molecule	Lima, Rafael O.			436-437	C	p.	article
846	Cross sections for scattering of excited argon atoms on helium atom	Pershin, A.			436-437	C	p.	article
847	Crystal and electronic structures of substituted halide perovskites based on density functional calculation and molecular dynamics	Takaba, Hiromitsu		2017	436-437	C	p. 22-28	article
848	Crystal-field analysis for RE3+ ions in laser materials: III. Energy levels for Nd3+ and Er3+ ions in LaAlO3, YAlO3, and LaGaO3 single crystals – Combined approach to low symmetry crystal field parameters	Karbowiak, M.		2012	436-437	C	p. 29-38 10 p.	article
849	Crystal growth, density functional theory, and scintillation properties of TlMgX3 (X = Cl, Br, I)	van Loef, Edgar			436-437	C	p.	article
850	Crystal growth in non-isochemical, highly viscous liquids and percolation theory	Bocker, Christian		2012	436-437	C	p. 50-54 5 p.	article
851	Crystalline network form of Gefitinib molecule stabilized by non–covalent interactions: DFT–D calculations	Chahkandi, Mohammad		2019	436-437	C	p.	article
852	Crystallization and photophysical dynamics of Tris(8-hydroxyquinoline) aluminum crystals fabricated by micro-spacing sublimation method	Xu, Wei-Long			436-437	C	p.	article
853	Crystallization kinetics from mixture Na2SO4/glycerol droplets of Na2SO4 by FTIR-ATR	Tan, Dan-Ting		2016	436-437	C	p. 131-135 5 p.	article
854	Crystallization of an amorphous solid studied by nuclear quadrupole double resonance	Seliger, Janez		2013	436-437	C	p. 44-48 5 p.	article
855	Crystallographic refinement of collective excitations using standing wave inelastic X-ray scattering	Gan , Yu		2013	436-437	C	p. 160-167 8 p.	article
856	Crystal polymorphs and molecular conformations of fluorinated ionic liquid: 1-Ethyl-3-methylimidazolium perfluorobutanesulfonate	Abe, Hiroshi			436-437	C	p.	article
857	Crystal structure, Hirshfeld surface and DFT based NBO, NLO, ECT and MEP of benzothiazole based hydrazone	Singh, Kiran			436-437	C	p.	article
858	Cu-anchored CNTs for effectively catalytic reduction of 4-nitrophenol	Yang, Tongyu			436-437	C	p.	article
859	Cubic-like A4B4 (A = Be, Mg, Ca; B = O) clusters for novel potential applications under density functional study	Trivedi, Sarthak			436-437	C	p.	article
860	Cubic silicon carbide under tensile pressure: Spinodal instability	Herrero, Carlos P.			436-437	C	p.	article
861	Cubic water clusters as building blocks for self-assembly	Gudkovskikh, Sergey V.			436-437	C	p.	article
862	Cu-Eu supported γ-Al2O3/Y zeolite composite catalyst for hydrogen chloride oxidation to chlorine	Zhao, Yuxin			436-437	C	p.	article
863	Current–voltage characteristics in organic field-effect transistors. Effect of interface dipoles	Sworakowski, Juliusz		2015	436-437	C	p. 106-110 5 p.	article
864	Cyanoacetylene (HC3N) and ammonia (NH3) complexes: A DFT theoretical and experimental study	Piétri, Nathalie		2012	436-437	C	p. 98-102 5 p.	article
865	Cycloaddition of ozone to allyl alcohol, acrylic acid and allyl aldehyde: A comparative DFT study	Yang, Jing		2013	436-437	C	p. 161-167 7 p.	article
866	Cyclodextrin-supported organic matrix for application of MALDI-MS for forensics. Soft-ionization to obtain protonated molecules of low molecular weight compounds	Yonezawa, Tetsu		2013	436-437	C	p. 17-22 6 p.	article
867	D-A-D based reversible fluorescent probe for selective detection and cell imaging of copper ion	Xu, Hejia			436-437	C	p.	article
868	Data driven analysis of aromatase inhibitors through machine learning, database mining and library generation	Bhutto, Jameel Ahmed			436-437	C	p.	article
869	DC slice ion imaging of the ultraviolet photodissociation of 2-bromohexane	Mao, Rui			436-437	C	p.	article
870	D-dimensional energies for sodium dimer	Zhang, Guang-Dong		2014	436-437	C	p. 79-84 6 p.	article
871	Decane structure on a graphite surface with sodium dodecyl sulfate and betaine surfactant mixtures: A molecular dynamics study	Salazar-Arriaga, Ana Beatriz			436-437	C	p.	article
872	Deciphering reduction stability of sulfone and fluorinated sulfone electrolytes:Insight from quantum chemical calculations	Du, Fuming			436-437	C	p.	article
873	Deciphering the role of multiple hydrogen bonding sites on the microsolvation of 3-(phenylamino)-2-cyclohexen-1-one with water in the excited states	Misra, Ramprasad		2013	436-437	C	p. 148-155 8 p.	article
874	Decomposition mechanism of isoprenoid p-cymene during supercritical water gasification by ReaxFF simulation	Wang, Yutong			436-437	C	p.	article
875	Deducing conformational variability of intrinsically disordered proteins from infrared spectroscopy with Bayesian statistics	Sethi, Anurag		2013	436-437	C	p. 143-155 13 p.	article
876	Deep eutectic solvents: Quantum chemical investigation, thermal stability and physicochemical properties	Vorobyova, Victoria			436-437	C	p.	article
877	Defect modulated electronic structure and magnetism in the 1T′ phase of Janus MoSSe	Li, Jia-Wen			436-437	C	p.	article
878	Defects suppression and Co–O–Co bonding mediated influences to enhance the luminescence characteristics of Co doped ZnO nanoparticles	Kunj, Saurabh			436-437	C	p.	article
879	Definitive production of intact organic pentacation radical: Octafluoronaphthalene ionized in intense femtosecond laser fields	Kitashoji, Akihiro		2019	436-437	C	p.	article
880	Degradation of lipid based drug delivery formulations during nebulization	Klein, David M.			436-437	C	p.	article
881	Delayed electron relaxation in CdTe nanorods studied by spectral analysis of the ultrafast transient absorption	Kriegel, I.		2016	436-437	C	p. 39-45	article
882	Density effect on the isotropic to smectic-C phase transition	Mukherjee, Prabir K.		2013	436-437	C	p. 92-95 4 p.	article
883	Density functional and ab initio investigation of S2N2 and (SN)2	Moon, Jiwon		2017	436-437	C	p. 60-66	article
884	Density-functional calculations of field-dependent ionization potentials and excitation energies of aromatic molecules	Davari, Nazanin		2015	436-437	C	p. 22-29 8 p.	article
885	Density functional investigation of the electronic structure and charge transfer excited states of a multichromophoric antenna	Basurto, Luis		2016	436-437	C	p. 1-8 8 p.	article
886	Density functional investigation on the Structural, electronic and optical properties of cadmium chalcogenides clusters CdnXm (n = 1–3, m = 1–3; X = O, S, Se, Te)	Solanki, Deep			436-437	C	p.	article
887	Density functional theory analyses of pyrazinamide adsorption by the assistance of iron-decorated metallofullerenes for assessing the drug delivery insights	Saadh, M.J.			436-437	C	p.	article
888	Density functional theory based molecular dynamics simulations of C70O3 doped with light molecules	Bil, Andrzej		2014	436-437	C	p. 121-126 6 p.	article
889	Density functional theory calculations of diffusion barriers of organic molecules through the 8-ring of H-SSZ-13	Smith, Ashley T.			436-437	C	p.	article
890	Density functional theory investigations of PbSnX 2 (X = S, Se, Te) monolayers: Structural and electronic properties	Nhan, Le C.			436-437	C	p.	article
891	Density functional theory investigations on the mechanisms of homogeneous Sm complex catalyzed CO 2 cycloaddition with epoxides	Xu, Wenhua			436-437	C	p.	article
892	Density Functional Theory modeling of the magnetic susceptibility of heme derivatives	Mohammadi, Mahnaz		2019	436-437	C	p.	article
893	Density functional theory prediction of pK a for carboxylated single-wall carbon nanotubes and graphene	Li, Hao		2017	436-437	C	p. 47-54 8 p.	article
894	Density functional theory study of interaction, bonding and affinity of group IIb transition metal cations with nucleic acid bases	Bagchi, Sabyasachi		2012	436-437	C	p. 108-117 10 p.	article
895	Density-functional theory study of magnetic and electronic properties of KFe2Se2 under pressure	Wang, JiaJun			436-437	C	p.	article
896	Density functional theory study of neutral and singly-charged (NaBH4) n (n =1–6) nanoclusters	Yang, Yongpeng		2014	436-437	C	p. 45-52 8 p.	article
897	Density functional theory study of the multimode Jahn–Teller problem in the open-shell corannulenes and coronenes	Andjelković, Ljubica		2015	436-437	C	p. 64-74 11 p.	article
898	Density functional theory study on the effect of germanium doping in sphalerite on the adsorption mechanism of butyl xanthate	Sheng, Jie			436-437	C	p.	article
899	Density functional theory study on the influence of pyrrolidine substituent of C60 bisadduct on its supramolecular interaction with porphine	Zhao, Li-Hong		2013	436-437	C	p. 43-48 6 p.	article
900	Dependence of chlorophyll fluorescence quenching on the lipid-to-protein ratio in reconstituted light-harvesting complex II membranes containing lipid labels	Akhtar, Parveen		2019	436-437	C	p. 242-248	article
901	Dependency of non-homogeneity energy dispersion on absorbance line-shape of luminescent polymers	Silva, Marcelo Castanheira da		2013	436-437	C	p. 35-42 8 p.	article
902	Derivation of the one electron orbital which is associated with the best separable function of a given many electron reference state	Šindelka, Milan		2017	436-437	C	p. 384-386	article
903	Derivation of the screened Bloch equations and application to carbon nanostructures	Verdenhalven , Eike		2013	436-437	C	p. 3-10 8 p.	article
904	Describing the chemical bonding in C70 and C70O3 – A quantum chemical topology study	Bil, Andrzej		2014	436-437	C	p. 22-30 9 p.	article
905	Description of adenine and cytosine on Au(111) nano surface using different DFT functionals (PW91PW91, wB97XD, M06-2X, M06-L and CAM-B3LYP) in the framework of ONIOM scheme: Non-periodic calculations	Farrokhpour, Hossein		2017	436-437	C	p. 1-10	article
906	Description of cross-peaks induced by intermolecular vibrational energy transfer in two-dimensional infrared spectroscopy	Villaeys, Albert A.			436-437	C	p. 12-20	article
907	Design and computational studies on energetic compounds composing bridged bis triazolo-triazine framework	Maan, Anjali			436-437	C	p.	article
908	Design and implementation of a fs-resolved transmission electron microscope based on thermionic gun technology	Piazza, L.		2013	436-437	C	p. 79-84 6 p.	article
909	Design and performance study of nitrogen-containing cuneane derivatives	Tang, Dongrun			436-437	C	p.	article
910	Designed Graphane-based spin filters by tuning the sp2/sp3 configuration	Sun, Cuicui			436-437	C	p.	article
911	Designing high-efficiency organic semi-conductors for organic photodetectors assisted by machine learning and property prediction	Mohammedsaleh Katubi, Khadijah			436-437	C	p.	article
912	Design of polymer membrane morphology with prescribed structure and diffusion properties	Strzelewicz, Anna			436-437	C	p.	article
913	Design of two different functional molecular logic devices based on hybrid fluorescence resonanceelectron exchange energy transfer	Zhang, Jinhong			436-437	C	p.	article
914	Destruction of real metal surface due to EM-field localization in fractal system of cracks	Maksimenko, V.V.			436-437	C	p.	article
915	Detailed mechanism of exchange reactions CO + N, CN + O and NO + C on the 4A″ potential energy surface at high temperature	Kroupnov, A.A.		2019	436-437	C	p. 172-178	article
916	Determination of anticancer activity and mechanism of action of benzooxazepines (BZOs) derivatives using multipronged computational and structural approaches	Azad, Iqbal			436-437	C	p.	article
917	Determination of contact angle of droplet on convex and concave spherical surfaces	Wu, Dongyin		2015	436-437	C	p. 63-69 7 p.	article
918	Determination of Hansen solubility parameters of ionic liquids using double-sphere type of Hansen solubility sphere method	Agata, Yusuke			436-437	C	p. 165-173	article
919	Determination of Hansen solubility parameters of particles using a capillary penetration method	Tsutsumi, Shinichi		2019	436-437	C	p. 115-122	article
920	Determination of the elastic modulus of poly(ethylene oxide) using a photoisomerizing dye	Jee, Ah-Young		2013	436-437	C	p. 246-250 5 p.	article
921	Determine electric field directions at semiconductor surfaces by femtosecond frequency domain interferometric second harmonic (FDISH) generation	Nelson, C.A.		2016	436-437	C	p. 69-72 4 p.	article
922	Determining the spatial coherence of excitons from the photoluminescence spectrum in charge-transfer J-aggregates	Hestand, Nicholas J.		2016	436-437	C	p. 262-271 10 p.	article
923	Determining the stopping power of low kinetic energy Ne+ projectiles in self-Assembled monolayers	Alharbi, Ahlam R.M.			436-437	C	p.	article
924	Deuteration effect on the NH/ND stretch band of the jet-cooled 7-azaindole and its tautomeric dimers: Relation between the vibrational relaxation and the ground-state double proton-transfer reaction	Ishikawa, Haruki		2013	436-437	C	p. 101-106 6 p.	article
925	Development and application of a ReaxFF reactive force field for molecular dynamics of perfluorinatedketones thermal decomposition	Liu, Yue			436-437	C	p.	article
926	Development of a method to accurately calculate the Dpb and quickly predict the strength of a chemical bond	Du, Xia		2013	436-437	C	p. 84-91 8 p.	article
927	Development of negative hydrogen ion sources for fusion: Experiments and modelling	Fantz, U.		2012	436-437	C	p. 7-16 10 p.	article
928	Development of nonresonant optimal control simulation to include polarization effects of laser pulses	Abe, Hiroya		2012	436-437	C	p. 13-18 6 p.	article
929	DFT and AIMD study of stability, electronic, magnetic, thermal, and optical properties of two-dimensional ZnX 2 (X = Cl, Br and I) semiconductor	Jaafar, Saman Sarkawt			436-437	C	p.	article
930	DFT calculations of the local structures and the EPR parameters for Rh2+ doped AO (A = Mg, Ca) crystals	Zhang, Gao-Jun			436-437	C	p.	article
931	DFT-D investigation of the interaction between Ir (III) based photosensitizers and small silver clusters Ag n (n =2–20,92)	Bokareva, Olga S.		2014	436-437	C	p. 40-48 9 p.	article
932	DFT investigation on electronic properties of the first principle three models of titanium-zirconium nanoclusters doped with two molecules of gallium-arsenic	Luaibi, Iman Nahudh			436-437	C	p.	article
933	DFT investigation on the design and optimization of icosahedral and octahedral beryllium nitride (Be3N2)x fullerene analogue. A comparative study with isosymmetry carbon fullerene	Nehdi, K.			436-437	C	p.	article
934	DFT investigation on the mechanism of catalytic reaction between 3-diazoindolin-2-imines and N-ethylaniline catalyzed by Rh2(Oct)4	Zhou, Da-Gang			436-437	C	p.	article
935	DFT investigations on AuVO 3 + , a barrier-free catalyst for oxidation of CO with O2	Zhang, Hao-Xu		2016	436-437	C	p. 69-76 8 p.	article
936	DFT modeling of successive hydrogenated subnano-size aluminum clusters	Charkin, O.P.		2019	436-437	C	p. 112-122	article
937	DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study	Hernández-Haro, Noemí			436-437	C	p. 225-231	article
938	DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck–Condon and Herzberg–Teller approaches including Duschinsky effect	Karaush, Nataliya N.		2015	436-437	C	p. 65-71 7 p.	article
939	DFT studies for three Cu(II) coordination polymers: Geometrical and electronic structures, g factors and UV–visible spectra	Ding, Chang-Chun		2018	436-437	C	p. 20-25	article
940	DFT studies of aggregation induced energy splitting and excitonic diversification in benzene and anthracene multimers	Testoff, Thomas T.			436-437	C	p.	article
941	DFT study of formaldehyde adsorption on vacancy defected graphene doped with B, N, and S	Zhou, Qingxiao		2014	436-437	C	p. 80-86 7 p.	article
942	DFT study of gadolinium aluminohydrides and aluminofluorides	Paduani , C.		2013	436-437	C	p. 1-7 7 p.	article
943	DFT study of hydrogen bonding between metal hydroxides and organic molecules containing N, O, S, and P heteroatoms: clusters vs. surfaces	Gašparič, Lea			436-437	C	p.	article
944	DFT study of optoelectronic and magnetic properties of a novel type perovskites	Barhoumi, M.			436-437	C	p. 120-128	article
945	DFT study of [Pt(Cl)2L] complex (L = rubeanic acid) and its derived compounds with DNA purine bases	Kumar, Amit			436-437	C	p.	article
946	DFT study of reaction processes of methane combustion on PdO(100)	Dianat, Arezoo		2014	436-437	C	p. 53-60 8 p.	article
947	DFT study of the influence of Chalcogen substitution on the structural, mechanical, thermodynamic, magnetic, and electronic properties of Ag₃FeX₄ (X = S, Se, Te)	Obeidat, Abdalla			436-437	C	p.	article
948	DFT study on Al-integrated nitrogen-doped C60-fullerene for nitrous oxide reduction and carbon monoxide oxidation	Farhadi, Bita			436-437	C	p.	article
949	DFT study on sensing properties of twisted nano graphene (C80H30) towards toxic sulfur gases (environmental pollution)	Zinouri, Reihaneh			436-437	C	p.	article
950	DFT study on stability and H2 adsorption activity of bimetallic Au79− n Pd n (n =1–55) clusters	Liu, Xuejing		2013	436-437	C	p. 179-185 7 p.	article
951	DFT study on tailoring the structural, electronic and optical properties of bilayer graphene through metalloids intercalation	Shuai, Yong			436-437	C	p.	article
952	DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole	Liu, Haining		2013	436-437	C	p. 21-25 5 p.	article
953	Diagnostics of solar chromosphere plasma based on observations of millimeter radiation	Nagnibeda, V.G.		2012	436-437	C	p. 33-36 4 p.	article
954	Dielectric constant of disordered phases of the smallest monoalcohols: Evidence for the hindered plastic crystal phase	Kondrin, M.V.			436-437	C	p.	article
955	Dielectric properties of acetonitrile confined in carbon nanotubes	Orhan, Mehmet			436-437	C	p.	article
956	Differences in intermolecular interactions between 4-hydroxycoumarin and 7-hydroxycoumarin studied by terahertz spectroscopy and density functional theory	Chen, Tao			436-437	C	p.	article
957	Different dynamic behaviors of the dissociation and recombination reactions in a model calculation of polyethylene by first-principles steered molecular dynamics simulation	Higuchi, Yuji		2015	436-437	C	p. 96-101 6 p.	article
958	Diffuse-functions effects on theoretical calculation of disulfide dianion in water	Ohko, Yoshihisa			436-437	C	p.	article
959	Diffusion and adsorption of dimers on reconstructed Pt(110) surfaces: First principle and EAM studies	Matrane, I.		2018	436-437	C	p. 96-101	article
960	Diffusion effects on the determination of surface catalysis in Inductively Coupled Plasma facility	Viladegut, Alan		2017	436-437	C	p. 88-97	article
961	Diffusion mechanism of H and O at the interstitial sites of a Ti-Zr alloy sorbent: A first-principles investigation	Zhu, Yang			436-437	C	p.	article
962	Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters	Angelotti, Wagner F.D.			436-437	C	p.	article
963	Diffusion of Brownian particles in a tilted periodic potential under the influence of an external Ornstein–Uhlenbeck noise	Bai, Zhan-Wu		2018	436-437	C	p. 62-66	article
964	Diffusion of carbon and nitrogen in TC4 titanium alloy plasma electrolytic saturation	Pang, Jing		2018	436-437	C	p. 12-18	article
965	Diffusion of hydrocarbon in zeolite and effect due to pore topology: Neutron scattering and MD simulation studies	Mitra, S.		2014	436-437	C	p. 69-77 9 p.	article
966	Diffusion of spherical solutes: A fractional molecular-hydrodynamic study of solvent dependence	Chan, T.C.		2016	436-437	C	p. 25-36 12 p.	article
967	Diffusion–reaction approach to electronic relaxation in solution: Exact solution of Smoluchowski equation for parabolic potential in presence of a rectangular sink	Mondal, Proma			436-437	C	p.	article
968	Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs	Canola, Sofia		2016	436-437	C	p. 130-138 9 p.	article
969	Dimeric cation-cation aggregates stabilized by 2Ch-2N chalcogen bonds: Crystallographic and theoretical evidences	Liu, Na			436-437	C	p.	article
970	Dipole and quadrupole polarizabilities and oscillator strengths of spherical quantum dot	Yakar, Yusuf			436-437	C	p. 213-220	article
971	Dipole behavior in thin film heterostructure composed of Er-doped SnO2 and GaAs: Influence of polarization bias, temperature and stray light	Russo, Fabricio T.			436-437	C	p.	article
972	Direct and solvent-assisted thione–thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study	Burcu Arslan, N.		2014	436-437	C	p. 1-11 11 p.	article
973	Direct application of the phase estimation algorithm to find the eigenvalues of the Hamiltonians	Daskin, Ammar		2018	436-437	C	p. 87-94	article
974	Direct global optimization of Onsager-Machlup action using Action-CSA	Lee, Juyong			436-437	C	p.	article
975	Directional nature of hydrophobic interactions: Implications for the mechanism of molecular recognition	Sun, Qiang			436-437	C	p.	article
976	Directional observations of guanine and cytosine pairing structures on HOPG	Xu, Xuming			436-437	C	p.	article
977	Direct observation of copper-induced role on Ullmann reaction by scanning tunneling microscopy	Leng, Xinli		2019	436-437	C	p. 65-68	article
978	Direct observation of meta-selective C-H activation on Pd(111) by scanning tunneling microscopy	Leng, Xinli			436-437	C	p.	article
979	Direct observation of the change in transient molecular structure of 9,9′-bianthryl using a 10 fs pulse UV laser	Hashimoto, Sena			436-437	C	p. 128-134	article
980	Direct Z-scheme charge separation mechanism and photocatalytic properties of (BiO)2CO3-BiOCl composites prepared in-situ	Duan, Ran			436-437	C	p.	article
981	Direct Z-scheme heterojunction rutile-TiO2/g-C3N4 catalyst constructed by solid grinding method for photocatalysis degradation	Li, Genxiang			436-437	C	p.	article
982	Direct Z-scheme SnC/InP heterostructure photocatalyst for overall water-splitting with broad optical absorption and strong catalytic activity	Zhang, Yan			436-437	C	p.	article
983	Discrimination of hydration states of hydrated salts using terahertz time-domain spectroscopy	Ali, Ahsan			436-437	C	p.	article
984	Discrimination of Sol and Gel states in an aging clay suspension	Shayeganfar, F.		2013	436-437	C	p. 167-172 6 p.	article
985	Dispersed phase particles in the solutions of chiral trifluoroacetylated α-aminoalcohols	Zlenko, Dmitry V.		2019	436-437	C	p. 74-80	article
986	Dispersive interactions in graphitic nanostructures	Woods, L.M.		2013	436-437	C	p. 116-122 7 p.	article
987	Disproportional proton tautomers of pipecolic acid and 2,6-dichloro-4-nitrophenol in a 2:3 complex	Anioła, Michalina		2016	436-437	C	p. 88-95 8 p.	article
988	Dissipative particle dynamics for anti-icing on solid surfaces	Zhang, Kaixuan			436-437	C	p.	article
989	Dissipaton dynamics theory versus quantum master equations	Wang, Yao		2018	436-437	C	p. 94-101	article
990	Dissociating diatomic molecules in ultrafast and intense light	Buth, Christian		2019	436-437	C	p. 91-100	article
991	Dissociation and localization dynamics of charge transfer excitons at a donor-acceptor interface	Duan, Hong-Guang		2020	436-437	C	p.	article
992	Dissociation dynamics of CH3I in electric spark induced breakdown revealed by time-resolved laser induced breakdown spectroscopy	Wang, Yang		2015	436-437	C	p. 30-35 6 p.	article
993	Dissociation of ZnO ring from Zn3O3 cluster by CASSCF	Tayade, Nishant T.			436-437	C	p.	article
994	Dissociation–recombination models in hypersonic boundary layer O2/O flows	Armenise, I.		2012	436-437	C	p. 104-110 7 p.	article
995	Dissociative adsorption of H2 on metal cluster and (111) surface of Ag, Co, Cu and Ru	Amaya-Roncancio, S.			436-437	C	p.	article
996	Dissociative electron attachment to vibrationally excited H2 molecules involving the 2 Σ g + resonant Rydberg electronic state	Celiberto, R.		2012	436-437	C	p. 206-213 8 p.	article
997	Distinction of photoelectron spectroscopy of cis- and trans-acrolein explored by theoretical computation	Chang, Jia-Lin			436-437	C	p.	article
998	Distinct self-assembly of dithiol monolayers on Au(111) in water and hexane	Sharif, Aisyah M.		2014	436-437	C	p. 77-82 6 p.	article
999	Distinct water behaviors at the surfaces of siloxane and gibbsite layers: Response to the concentration and cation type	Yu, Xiao			436-437	C	p.	article
1000	Distortion of the amide-I and -II bands of an α-helical membrane protein, pharaonis halorhodopsin, depends on thickness of gold films utilized for surface-enhanced infrared absorption spectroscopy	Guo, Hao		2013	436-437	C	p. 8-16 9 p.	article

4350 results found

next >>

Koninklijke Bibliotheek - National Library of the Netherlands