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                             4350 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
4001 Theoretical study on the structures and properties of hydrogen-doped cationic carbon clusters C n H 2 + (n =3–10) Qi, Jiayuan
 2014
 1-10 C p. 20-25
6 p.
 artikel
4002 Theoretical survey on M@C80 (M=Ca, Sr, and Ba): Behavior of different alkaline earth metal impacting the chemical stability and electronic properties Cui, Jin-Bo
 2016
 1-10 C p. 7-17
11 p.
 artikel
4003 Theoretical Systematic investigation as a Strategic Tool for the design of more efficient pure and doped MoS2 catalysts for CO2 Electroreduction Vaiss, Viviane S.
1-10 C p.
 artikel
4004 The origin of fluorescence in DNA thio-analogues Karsili, Tolga N.V.
 2018
 1-10 C p. 434-440
 artikel
4005 The origin of the transition voltage of gold–alkanedithiol–gold molecular junctions Xiang, An
 2016
 1-10 C p. 40-45
6 p.
 artikel
4006 Theory of attosecond delays in laser-assisted photoionization Dahlström, J.M.
 2013
 1-10 C p. 53-64
12 p.
 artikel
4007 The photocatalysis application of a new carbon nitrogen material and atomic doping to improve photocatalytic efficiency Tan, Xiangyang
1-10 C p.
 artikel
4008 The photocathodic properties of a Fe2O3 wrapped CuFeO2 layer on ITO glass for water splitting Cheng, Xiaorong
1-10 C p. 241-245
 artikel
4009 The photoelectric properties of 2D ZnO/black phosphorus heterostructures with different electric field Zhao, Yanfang
1-10 C p.
 artikel
4010 The photoelectrochemical properties of FTO/WO3/BiVO4/TiO2 photoanode for water splitting Shen, Huanyu
1-10 C p.
 artikel
4011 The potential application of zinc oxide nanotubes as sensors for NH3 detection: A DFT study Saadh, Mohamed J.
1-10 C p.
 artikel
4012 The potential impact of the graphene oxide on the cytochrome c − from the insight of electron transfer theory Wu, Wenze
1-10 C p.
 artikel
4013 The preferential permeation of ions across carbon and boron nitride nanotubes Sardroodi, Jaber Jahanbin
 2012
 1-10 C p. 105-112
8 p.
 artikel
4014 The protonated water trimer and its giant Fermi resonances Samala, Nagaprasad Reddy
 2018
 1-10 C p. 164-175
 artikel
4015 The quadrapolar character of the Markovnikov reaction transition state Franzen, Stefan
 2016
 1-10 C p. 46-54
9 p.
 artikel
4016 The quest for the carbene bent-pentadiynylidene isomer of C5H2 Thimmakondu, Venkatesan S.
 2018
 1-10 C p. 411-417
 artikel
4017 The radical SeCl: A theoretical contribution to the characterization of its low-lying electronic states Hermoso, Willian
 2012
 1-10 C p. 98-101
4 p.
 artikel
4018 The rate constant for the automerization of vinyl radical: A theoretical approach using the Complete Active Space Self Consistent Field method Varras, Panayiotis C.
1-10 C p.
 artikel
4019 The relativistic all-electron ab initio calculations on the multiplet electronic structure of U3+ ion Roy, Soumendra K.
1-10 C p.
 artikel
4020 The response of structure and vibrational modes of 1, 3-diamino-2, 4, 6-trinitrobenzene (DATB) to pressure Hong, Dan
1-10 C p.
 artikel
4021 Thermal annealing induced tunable localized surface plasmon resonance of Au/Ag bimetallic thin film Ji, Jialin
1-10 C p.
 artikel
4022 Thermal criticality and two-step diffusion-reaction of electromagnetic Casson-Williamson fluid flow along a vertical channel with convective cooling under bimolecular kinetic Ohaegbue, A.D.
1-10 C p.
 artikel
4023 Thermal damping of odd-even effects in gold clusters Hansen, K.
1-10 C p.
 artikel
4024 Thermal diffusion factor of Stockmayer mixtures: A non-equilibrium molecular dynamic study Yeganegi, Saeid
 2013
 1-10 C p. 119-123
5 p.
 artikel
4025 Thermal dissociation of the singly protonated Arginine: Competition between side-chain and backbone fragmentation Gu, Meng
1-10 C p.
 artikel
4026 Thermal evaporated C60 modified by Pt as counter electrode for dye-sensitized solar cells Yang, Xiu De
1-10 C p. 73-77
 artikel
4027 Thermal isomerism and pyrolysis mechanism of α-pinene and β-pinene in a solvent-free solution and ethanol based on density functional theory Lai Computation, Wu-Ji
1-10 C p.
 artikel
4028 Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states Wang, Duo
1-10 C p.
 artikel
4029 Thermal pyrolysis investigation of self-assembled molecular monolayer for defect-free doping in silicon Zhi, Kanru
1-10 C p.
 artikel
4030 Thermal stability and detonation character of nitro-substituted derivatives of cytosine Li, Butong
1-10 C p.
 artikel
4031 Thermal stability of Al-Cu-Fe-Cr-Ni high entropy alloy bulk and nanoparticle structure: A molecular dynamics perspective Zeng, Ziming
 2019
 1-10 C p. 126-130
 artikel
4032 Thermal transport across Cu-Metal-Carbon nanotube interfaces enhanced by effective interfacial interaction Wang, Xin
1-10 C p.
 artikel
4033 Thermochemical nonequilibrium analysis of O2+Ar based on state-resolved kinetics Kim, Jae Gang
 2015
 1-10 C p. 76-85
 artikel
4034 Thermochromism of pure alkanols and water versus its polarizability Catalán, Javier
 2019
 1-10 C p. 99-103
 artikel
4035 Thermodynamic and acoustic studies of quercetin with sodium dodecyl sulfate in hydro-ethanolic solvent systems: A flavonoid-surfactant interaction study Abbot, Vikrant
1-10 C p.
 artikel
4036 Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations Eskandari Nasrabad, A.
1-10 C p. 36-44
 artikel
4037 Thermodynamic features of bovine and human serum albumins under ozone and hydrogen peroxide induced oxidation studied by differential scanning calorimetry Gorobets, Maria G.
 2019
 1-10 C p. 34-41
 artikel
4038 Thermodynamic modeling of phase equilibrium in aqueous systems to recover boron acid from the brines Sun, Shuaiqi
1-10 C p.
 artikel
4039 Thermodynamic model of phase equilibrium and isomerization in photoactive azobenzene-based materials Soulé, Ezequiel R.
1-10 C p.
 artikel
4040 Thermodynamic properties of interacting like-rod chains: Entropic sampling simulations Ferreira, Lucas S.
 2019
 1-10 C p. 119-125
 artikel
4041 Thermodynamics and dynamics of the hard-sphere system: From stable to metastable states Bomont, Jean-Marc
 2014
 1-10 C p. 85-94
10 p.
 artikel
4042 Thermodynamics and kinetics of nucleation in binary solutions Alekseechkin, Nikolay V.
 2019
 1-10 C p. 138-154
 artikel
4043 Thermodynamics of free radical scavenging activity of deprotonated hibiscetin towards reactive oxygen and nitrogen species Ragi, C.
1-10 C p.
 artikel
4044 Thermodynamic stability of diatomic dications of the families of alkaline earth oxides and hydrides: The cases of BaO2+ and BaH2+ dos Santos, Levi Gonçalves
 2019
 1-10 C p. 32-39
 artikel
4045 Thermodynamic stability of ibuprofen loaded poloxamer micelles Kacar, Gokhan
1-10 C p.
 artikel
4046 Thermodynamic study of interactions between 1-alkanol and butanone Almasi, Mohammad
 2019
 1-10 C p.
 artikel
4047 Thermodynamic study of quercetin and rutin mixtures with alcohols Szymczyk, Katarzyna
 2018
 1-10 C p. 6-11
 artikel
4048 Thermoelectric transport properties of magnetic carbon-based organic chains Tan, F.X.
 2020
 1-10 C p.
 artikel
4049 Thermomagnetic properties and critical behaviour studies in the ferromagnetic – Paramagnetic phase transition in Pr0.6Sr0.35Ag0.05MnO3 and Pr0.6Sr0.3Ag0.1MnO3 ceramics Thaljaoui, R.
1-10 C p.
 artikel
4050 Thermophysical properties of helium and hydrogen mixtures under high pressure predicted by ab-initio calculations: Implications for Saturn and Jupiter planets Zidane, Mustapha
1-10 C p.
 artikel
4051 The role of activation enthalpy modeled with a modified Arrhenius equation in a variant of a minimal bromate oscillator for temperatures changes Morales, M.A.
1-10 C p.
 artikel
4052 The role of codons during a natural selection Pinčák, Richard
1-10 C p.
 artikel
4053 The role of concavo-convex walls of a nanopore on the density profile, adsorption, solvation force, and capillary condensation of confined fluids: A DFT study Helmi, Abbas
 2014
 1-10 C p. 67-75
9 p.
 artikel
4054 The role of dissociation channels of excited electronic states in quantum optimal control of ozone isomerization: A three-state dynamical model Kurosaki, Yuzuru
 2016
 1-10 C p. 115-122
8 p.
 artikel
4055 The role of halogen C–X1⋯X2–C contact on the preferred conformation of 2-perhalomethylchromones in solid state Alcívar León, C.D.
 2016
 1-10 C p. 142-155
14 p.
 artikel
4056 The role of heavy atom effect in regulating multiple-resonance and thermally activated delayed fluorescence features: A theoretical perspective Yang, Xuelu
1-10 C p.
 artikel
4057 The role of intermolecular interactions of aromatic sandwich dimer ligands for the half-titanocene catalysts: Theoretical study Gao, Yi
1-10 C p.
 artikel
4058 The role of intramolecular interactions on the stability of the conformers of a spiropyran derivative Menzonatto, Thiago G.
1-10 C p.
 artikel
4059 The role of near resonance electronic energy transfer on the collisional quenching of NO (A2Σ+) by C6H6 and C6F6 at low temperature Winner, Joshua D.
 2018
 1-10 C p. 86-92
 artikel
4060 The role of nonbonding interactions and the presence of fluoride on the conformational isomerism of 1,2-ethanediol Silva, Weslley G.D.P.
 2016
 1-10 C p. 17-23
7 p.
 artikel
4061 The role of proton configurations in the absorption characteristics of trefoil-shaped Salicylaldehyde Azine derivatives: The electronic structure calculation analysis. Fukuhima, Akinori
1-10 C p.
 artikel
4062 The role of quadratic frequency chirps in the photodissociation dynamics of D 2 + Csehi, András
 2017
 1-10 C p. 97-104
 artikel
4063 The role of repulsive and attractive forces in low-energy (3–15 eV) electron stimulated desorption of anions from molecular layers grown on clean and contaminated metallic substrates Omar, Norhan
1-10 C p.
 artikel
4064 The role of 1πσ∗ states in the formation of adenine radical-cations in DNA duplexes Karsili, Tolga N.V.
 2018
 1-10 C p. 464-471
 artikel
4065 The role of structural symmetry on proton tautomerization: A DFTB/Meta-Dynamics computational study Raptakis, Antonios
1-10 C p.
 artikel
4066 The role of the charge-transfer states in the ultrafast excitonic dynamics of the DTDCTB dimers embedded in a crystal environment Jiang, Shengshi
 2018
 1-10 C p. 603-613
 artikel
4067 The role of traps with arbitrary distribution in photoinduced charge carrier dynamics in semiconductor quantum dots Nikiforov, Victor G.
1-10 C p.
 artikel
4068 The rovibrational nature of closed-shell third-row triatomics: HOX and HXO, X=Si+, P, S+, and Cl Kitchens, Mason J.R.
 2016
 1-10 C p. 119-127
9 p.
 artikel
4069 The Se–H bond of benzeneselenols (ArSe-H): Relationship between bond dissociation enthalpy and spin density of radicals Nam, Pham Cam
 2013
 1-10 C p. 18-25
8 p.
 artikel
4070 The selective heavy metal ions adsorption of zinc oxide nanoparticles from dental wastewater Gu, Mengqin
1-10 C p.
 artikel
4071 The selectivity consideration on Cu cluster between HER and CO2 reduction Zhang, S.
1-10 C p.
 artikel
4072 The shift of excitation spectra at blue edge of emission (BEEmS) as a new methodology to probe heterogeneity Das, Nilimesh
1-10 C p.
 artikel
4073 The Side-chain design of rhodamine dye and the performance research of photocatalytic hydrogen production system by the first principles Jiao, Yuqiu
1-10 C p.
 artikel
4074 The solvatochromic behavior and degree of ionicity of a synthesized pentacyano (N-substituted-4,4′-bipyridinium) ferrate(II) complex in different media. Tuning the solvatochromic intensity in aqueous glucose solutions Papadakis, Raffaello
 2014
 1-10 C p. 29-39
11 p.
 artikel
4075 The structural and electronic properties of monovalent sidewall functionalized double-walled carbon nanotubes Jalili, Seifollah
 2012
 1-10 C p. 91-95
5 p.
 artikel
4076 The structure and desorption properties of the ammines of the group II halides Jones, Martin Owen
 2013
 1-10 C p. 38-43
6 p.
 artikel
4077 The study of atomic structure parameters of n = 2-n = 3 for Cl XII ion Tang, Wei
1-10 C p.
 artikel
4078 The study of mechanical and thermoelectric behavior of MgXO3 (X = Si, Ge, Sn) for energy applications by DFT Mahmood, Q.
 2019
 1-10 C p. 106-112
 artikel
4079 The study of phase equilibria in the CsHSO4–CsH2PO4–NH4H2PO4–H2O system Timakov, I.S.
1-10 C p.
 artikel
4080 The thermodynamic property for the particle confined in a linear potential Wang, De-hua
1-10 C p.
 artikel
4081 The torsional spectrum of the hydrogen trioxide molecule Pitsevich, G.A.
1-10 C p.
 artikel
4082 The tunable electronic and optical properties of WS2/PtO2 heterojunctions are calculated by first principles Duan, Weiwei
1-10 C p.
 artikel
4083 The tunable electronic structure and optical properties of vacancy-ordered double perovskites Tl2PdBr x Cl6- x (x = 0, 2, 4, 6) Peng, Huan
1-10 C p.
 artikel
4084 The tunneling splitting and the Kramers theory of activated processes Pravatto, Pierpaolo
1-10 C p.
 artikel
4085 The use of low-lying excited states of zethrene and its homologs in singlet fission within Pariser-Parr-Pople model Hamiltonian: A Density Matrix Renormalization Group study Naskar, Sumit
1-10 C p.
 artikel
4086 The use of plate-type electric force field for the explicit simulations of electrochemical CO dimerization on Cu(111) surface Liao, Chen-Cheng
1-10 C p.
 artikel
4087 The vacuum UV photoabsorption spectroscopy of the geminal ethylene difluoride (1,1-C2H2F2). The vibrational structure and its analysis Locht, R.
 2012
 1-10 C p. 124-136
13 p.
 artikel
4088 The vibrational Jahn–Teller effect in E⊗e systems Thapaliya, Bishnu P.
 2015
 1-10 C p. 31-42
12 p.
 artikel
4089 The Zero Point Position in Morse’s potential and accurate prediction of thermal expansion in metals Benassi, Enrico
 2018
 1-10 C p. 323-335
 artikel
4090 Thiapillar[5]arenes: Structures, Properties, and Host-Guest chemistry Xie, Ju
1-10 C p.
 artikel
4091 Thiophene oligomer based NIR dyes: Photophysical properties and application in dye sensitized solar cells Panja, Sumit Kumar
1-10 C p.
 artikel
4092 This special thematic issue of chemical physics ‘Energy and entropy of change: From elementary processes to biology’ celebrates the 80th birthday of Prof. Raphael D. Levine, known as Raphy Kosloff, Ronnie
 2018
 1-10 C p. 1-3
 artikel
4093 Three-dimensional Langevin dynamics of N atom scattering from N-covered Ag(111) Kang, Kai
1-10 C p.
 artikel
4094 Three-pulse multiplex coherent anti-Stokes/Stokes Raman scattering (CARS/CSRS) microspectroscopy using a white-light laser source Bito, Kotatsu
 2013
 1-10 C p. 156-162
7 p.
 artikel
4095 Through space and through bridge channels of charge transfer at p-n nano-junctions: A DFT study Dandu, Naveen
 2016
 1-10 C p. 144-156
13 p.
 artikel
4096 Thymoquinone-Micellar Interactions: A physico-chemical investigation at molecular level Nadeem, Iram
1-10 C p.
 artikel
4097 Time-dependent formalism of double ionization of multielectron atomic targets Yip , F.L.
 2013
 1-10 C p. 112-120
9 p.
 artikel
4098 Time-dependent framework for energy and charge currents in nanoscale systems Lehmann, Thomas
 2018
 1-10 C p. 176-182
 artikel
4099 Time-dependent synthesis of molybdenum disulfide for efficient electrocatalysts Ghanashyam, Gyawali
1-10 C p.
 artikel
4100 Time-dependent wave packet state-to-state quantum dynamics study of the abstraction reaction S(3P)+H2(v =0, j =0) on 13A″ electronic state Wu, Hui
 2015
 1-10 C p. 47-53
7 p.
 artikel
4101 Time of flight transients in the dipolar glass model Novikov , S.V.
 2012
 1-10 C p. 68-73
6 p.
 artikel
4102 Time resolved excitation dynamics in emeraldine base Menšík, Miroslav
 2015
 1-10 C p. 79-84
6 p.
 artikel
4103 Time-resolved FTIR spectroscopy for monitoring protein dynamics exemplified by functional studies of Ras protein bound to a lipid bilayer Kötting, Carsten
 2012
 1-10 C p. 72-83
12 p.
 artikel
4104 Time-resolved high-harmonic spectroscopy of valence electron dynamics Kraus, Peter M.
 2013
 1-10 C p. 32-44
13 p.
 artikel
4105 Time-resolved infrared studies of the unfolding of a light triggered β-hairpin peptide Rampp, Michael S.
1-10 C p. 116-121
 artikel
4106 Time-resolved IR observation of a photocatalytic reaction of pivalic acid on platinized titanium dioxide Maeda, Akihiro
 2013
 1-10 C p. 167-171
5 p.
 artikel
4107 Time-resolved photoacoustic calorimetry of organometallic ligand substitution in alkane solvents: Molybdenum-alkane σ bond controls fast ligand addition to molybdenum pentacarbonyl Gittermann, Shannon M.
1-10 C p. 122-127
 artikel
4108 Time-resolved photoelectron signals from bifurcating electron wavepackets propagated across conical intersection in path-branching dynamics Arasaki, Yasuki
 2017
 1-10 C p. 42-48
7 p.
 artikel
4109 Time-resolved two-photon spectroscopy of carotenoids Šebelík, Václav
 2019
 1-10 C p. 171-177
 artikel
4110 Tin-based perovskite films fabricated by chemical vapor deposition for photodetector application Xu, Wei-Long
1-10 C p.
 artikel
4111 Tissue evolution of Al0.67Cu0.33 alloy during melting and solidification by molecular dynamics simulation Chen, Yufeng
1-10 C p.
 artikel
4112 Titanium dioxide-molybdenum disulfide for photocatalytic degradation of methylene blue Ibukun, Olaniyan
 2019
 1-10 C p.
 artikel
4113 Tolman’s length and limiting supersaturation of vapor Alekseechkin, Nikolay V.
 2018
 1-10 C p. 19-25
 artikel
4114 Topological solitons in aliphatic systems with a restricted translational mobility Lazarenko, Maxim M.
1-10 C p.
 artikel
4115 Topology of active site geometries in HCP and FCC nanoparticles and surfaces Zeinalipour-Yazdi, Constantinos D.
1-10 C p.
 artikel
4116 Torque measurements during the spontaneous unbraiding of DNA molecules in the absence of pulling forces Martínez-Santiago, Carlos J.
 2017
 1-10 C p. 25-32
8 p.
 artikel
4117 Torsion control of the electronic and optical properties of monolayer WS2: A first-principles study Wang, Duo
1-10 C p.
 artikel
4118 Toward rational design of dual-metal-site single atom electrocatalysts for hydrogen and oxygen evolution reactions Cheng, Yuwen
1-10 C p.
 artikel
4119 Towards an understanding of the CO2-philicity in glycine: Deepening into the CO2:Aminoacid interactions Azofra, Luis Miguel
 2015
 1-10 C p. 1-6
6 p.
 artikel
4120 Towards a systematic convergence of Multi-Layer (ML) Multi-Configuration Time-Dependent Hartree nuclear wavefunctions: The ML-spawning algorithm Mendive-Tapia, David
 2017
 1-10 C p. 113-123
 artikel
4121 Towards first-principles calculation of electronic excitations in the ring of the protein-bound bacteriochlorophylls Polyakov, Igor V.
 2018
 1-10 C p. 34-39
 artikel
4122 Toxicants in cigarette smoke adsorbed on red phosphorene nanosheet: A first-principles insight Bhuvaneswari, R.
1-10 C p.
 artikel
4123 Tracing dissociation dynamics of CH3Br in the 3Q0 state with femtosecond extreme ultraviolet ionization Vaida, Mihai E.
 2014
 1-10 C p. 41-47
7 p.
 artikel
4124 Tracking ultrafast relaxation dynamics of furan by femtosecond photoelectron imaging Liu, Yuzhu
 2015
 1-10 C p. 142-147
 artikel
4125 Trajectory-based modelling of the quantum dynamics of vibrational predissociation: Application to the Ar ⋯ Br 2 v = 24 complex Acosta-Matos, J.C.
1-10 C p.
 artikel
4126 Trajectory surface hopping vs. quantum scattering calculations on D+ + H2 and H + H 2 + reactions using ab initio surfaces and couplings Mukherjee, Soumya
1-10 C p.
 artikel
4127 Transient currents in a molecular photo-diode Petrov, E.G.
 2012
 1-10 C p. 53-64
12 p.
 artikel
4128 Transition dipole moments of charge transfer excitations in one-component molecular crystals Mazur, Grzegorz
 2012
 1-10 C p. 92-97
6 p.
 artikel
4129 Transition-metal doped Ti2CO2 as gas sensor toward NH3: A DFT study Wang, Yajing
1-10 C p.
 artikel
4130 Transition metal-free M2N (M = Mg, Ca, Sr, Ba) electrode monolayers for electrochemical nitrate dissociation Meng, Ming
1-10 C p.
 artikel
4131 Transition path sampling of protein conformational changes Juraszek, Jarek
 2012
 1-10 C p. 30-44
15 p.
 artikel
4132 Transitions energies, optical oscillator strengths and partial potential energy surfaces of inner-shell states of water clusters Tenório, Bruno N.C.
 2018
 1-10 C p. 26-33
 artikel
4133 Transport behaviour of chaotropic and kosmotropic anions within unmodified and polyelectrolyte modified conical nanopore Haider, M. Hamza Ali
1-10 C p.
 artikel
4134 Transport coefficients and validity of the Stokes-Einstein relation in metallic melts: From excess entropy scaling laws Shrivastava, Ruchi
 2017
 1-10 C p. 115-119
5 p.
 artikel
4135 Transport coefficients of plasmas in mixtures of nitrogen and hydrogen Murphy, Anthony B.
 2012
 1-10 C p. 64-72
9 p.
 artikel
4136 Transport properties of ruthenophanes – A theoretical insight Garcia, Leone C.
 2016
 1-10 C p. 23-33
11 p.
 artikel
4137 Transposition of polymer-encapsulated small interfering RNA through lung surfactant models at the air-water interface Miguel Pereira Souza, Lucas
1-10 C p.
 artikel
4138 Transverse correlations near solid-liquid interface: Influence of the crystal structure of solid Chouksey, Shubham
 2019
 1-10 C p. 188-197
 artikel
4139 Transverse electric field dependence of charge mobility in end-on oriented polymer structures Sun, Shih-Jye
 2019
 1-10 C p. 15-23
 artikel
4140 Trap-controlled fractal diffusion model of an atypical dielectric response Khamzin, A.A.
1-10 C p.
 artikel
4141 Treatment of Herzberg-Teller and non-Condon effects in optical spectra with Hierarchical Equations of Motion Seibt, Joachim
 2018
 1-10 C p. 129-140
 artikel
4142 Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties Hermoso, Willian
 2013
 1-10 C p. 142-150
9 p.
 artikel
4143 Tribute to Vladimir Chernyak Mukamel, Shaul
 2016
 1-10 C p. 3-4
2 p.
 artikel
4144 Trimers formed by methyl formate with hydrogen fluoride: Structures, energetics, and infrared absorption spectra Bulychev, V.P.
1-10 C p.
 artikel
4145 Triplet 2 3 S state of a quantum dot in a magnetic field: A ‘Quantal Newtonian’ first law study Slamet, Marlina
1-10 C p.
 artikel
4146 Triplet state quenching of bacteriochlorophyll c aggregates in a protein-free environment of a chlorosome interior Vinklárek, Ivo S.
1-10 C p.
 artikel
4147 Triptycene-modified linkers of MOFs for methane sorption enhancement: A molecular simulation study Volkova, Evgeniya I.
 2015
 1-10 C p. 14-18
5 p.
 artikel
4148 Tunable electronic and optical properties of AlSb/InSe heterojunction and As and Te doped AlSb/InSe heterojunction based on first principles Sun, Yue
1-10 C p.
 artikel
4149 Tunable electronic and optical properties of Te doped ZrS2/GaSe van der Waals heterostructures under varying electric fields and strains Ye, Linshen
1-10 C p.
 artikel
4150 Tunable electro-optical properties of doped chiral graphene nanoribbons Abdelsalam, Hazem
1-10 C p.
 artikel
4151 Tunable excitation in Eu3+ based hybrid layered nanophosphors through aggregate formation Balderas, Uriel
 2018
 1-10 C p. 1-6
 artikel
4152 Tunable optoelectronic and photocatalytic properties of BAs-BSe van der Waals heterostructures by strain engineering Fayaz, M.
1-10 C p.
 artikel
4153 Tunable Schottky barrier of in-plane MoSSe/Borophene heterojunctions under electric field and strain Wang, Yu
1-10 C p.
 artikel
4154 Tunable transport of a methane-water mixture through a carbon nanotube Kang, X.
1-10 C p.
 artikel
4155 Tunable transport properties in graphene-DNA and silicene-DNA by controlling the thickness of nanopores Mohammadi, S.
1-10 C p.
 artikel
4156 Tuning electronic transport properties of wide antimonene nanoribbon via edge hydrogenation and oxidation Xie, Fang
1-10 C p.
 artikel
4157 Tuning of structural and magnetic properties by intriguing radical-radical interaction by double electron oxidation in U-A-U′ triplex formation Bhunia, Snehasis
 2020
 1-10 C p.
 artikel
4158 Tuning structural preference of negatively charged B16 by ionically or covalently interacting with alkali and coinage metals Dong, Xue
1-10 C p.
 artikel
4159 Tuning the active site dynamic properties and substrate affinity in Pseudomonas aeruginosa elastase by Cys270–Cys297 disulfide bond Jahangirizadeh, Zohreh
1-10 C p.
 artikel
4160 Tuning the electronic and optical properties of two-dimensional hydrogenated c-BN nanosheets by Be and C dopants and vacancy defects Li, Jia
1-10 C p.
 artikel
4161 Tuning the electronic, photocatalytic and optical properties of hydrogenated InN monolayer by biaxial strain and electric field Pham, Khang D.
1-10 C p.
 artikel
4162 Tuning the electronic properties of GaS monolayer by strain engineering and electric field Pham, Khang D.
 2019
 1-10 C p. 101-105
 artikel
4163 Tuning the electronic structure of 2D materials by strain and external electric field: Case of GeI2 monolayer Hoat, D.M.
 2019
 1-10 C p.
 artikel
4164 Tuning the NLO properties of polymethineimine chains by chemical substitution Medved’, Miroslav
 2013
 1-10 C p. 196-206
11 p.
 artikel
4165 Tuning the oxidation state of titanium dioxide mesoporous film by 1000 eV argon ion beam irradiation Qahtan, Talal F.
1-10 C p.
 artikel
4166 Tuning the photoelectric properties of ZrS2/ZrSe2 heterojunction via shear strain and electric field Zhao, Yanshen
1-10 C p.
 artikel
4167 Tuning the properties of SrI2: A DFT study on the contributions of S and Se doping Rehman, Hafeez Ur
1-10 C p.
 artikel
4168 Tuning thermoelectric transport in phosphorene through a perpendicular magnetic field Le, P.T.T.
 2019
 1-10 C p. 1-5
 artikel
4169 Tunneling of electrons via rotor–stator molecular interfaces: Combined ab initio and model study Petreska, Irina
 2016
 1-10 C p. 32-39
8 p.
 artikel
4170 Two- and three-body dispersion coefficients for interaction of Cu and Ag atoms with Group I, II, and XII elements Kaur, Harpreet
1-10 C p.
 artikel
4171 Two-dimensional infrared study of the CD and CO stretching vibrations in strongly hydrogen-bonded complexes Grafton, Andrea B.
1-10 C p. 3-12
 artikel
4172 Two-dimensional Lorandite with high-efficiency photocatalytic water splitting: Insights from ab initio calculations Fang, Wenyu
1-10 C p.
 artikel
4173 Two-dimensional photon-echo spectroscopy at a conical intersection: A two-mode pyrazine model with dissipation Sala, Matthieu
 2016
 1-10 C p. 206-217
12 p.
 artikel
4174 Two-dimensional Zr2C monolayer as anode material for Li, Na and K ion batteries Wang, Yusheng
1-10 C p.
 artikel
4175 Two-exciton excited states of J-aggregates in the presence of exciton–exciton annihilation Levinsky, B.
 2016
 1-10 C p. 1-10
10 p.
 artikel
4176 Two names of stability: Spherical aromatic or superatomic intermetalloid cluster [Pd3Sn8Bi6]4− Fedik, Nikita
 2019
 1-10 C p. 134-137
 artikel
4177 Two-phase interface-facilitated synthesis of graphene-like carbon nanosheets and their interfacial assembly behaviors Gao, Hongyi
1-10 C p. 132-138
 artikel
4178 Two-photon absorption and efficient encapsulation of near-infrared-emitting CdSe x Te1− x quantum dots Szeremeta, Janusz
 2015
 1-10 C p. 93-97
5 p.
 artikel
4179 Two-photon absorption spectroscopy using intense phase-chirped entangled beams Svozilík, Jiří
 2018
 1-10 C p. 54-59
 artikel
4180 Two types of coherence resonance in an intracellular calcium oscillation system Ma, Juan
 2017
 1-10 C p. 29-34
6 p.
 artikel
4181 Ultrafast carrier dynamics of Bi2O2Se nanoplates in the nonlinear excitation regime Han, Yadong
1-10 C p.
 artikel
4182 Ultrafast charge dynamics in CuInS2 nanocrystal quantum dots Cadirci, Musa
 2014
 1-10 C p. 60-65
6 p.
 artikel
4183 Ultrafast charge transfer dynamics in the excited state of DCM measured by a 6-fs UV pulse laser Hashimoto, Sena
1-10 C p.
 artikel
4184 Ultrafast dynamics of coherent optical phonon in a thin film of Bi3Se2Te Ko, Ying-Kuan
1-10 C p. 62-67
 artikel
4185 Ultrafast dynamics of recombinative desorption of molecular oxygen from the single crystal Pd(110) surface Banerjee, Sourav
1-10 C p.
 artikel
4186 Ultrafast dynamics of the liquid deposited blend film of porphyrin donor and perylene diimide acceptor Zeb, Johar
1-10 C p.
 artikel
4187 Ultrafast electronic deactivation of UV-excited adenine and its ribo- and deoxyribonucleosides and -nucleotides: A comparative study Stange, Uta C.
 2018
 1-10 C p. 441-451
 artikel
4188 Ultrafast electronic dynamics and vibrational dynamics of SWCNT under alkylation and annealing Lu, Fu-You
1-10 C p.
 artikel
4189 Ultrafast electron transfer of different vibronic states in flavodoxin Zhang, Yifei
1-10 C p.
 artikel
4190 Ultrafast excited-state dynamics of thiazole orange Zhao, Zenan
1-10 C p.
 artikel
4191 Ultrafast exciton decay in PbS quantum dots through simultaneous electron and hole recombination with a surface-localized ion pair Edme, Kedy
 2016
 1-10 C p. 46-53
 artikel
4192 Ultrafast Exciton Dynamics in Cd x Hg(1 − x )Te alloy Quantum Dots Leontiadou, Marina A.
 2016
 1-10 C p. 25-30
6 p.
 artikel
4193 Ultrafast exciton migration in an HJ-aggregate: Potential surfaces and quantum dynamics Binder, Robert
 2017
 1-10 C p. 16-26
 artikel
4194 Ultrafast heme–ligand recombination in truncated hemoglobin HbO from Mycobacterium tuberculosis: A ligand cage Jasaitis, Audrius
 2012
 1-10 C p. 10-16
7 p.
 artikel
4195 Ultrafast intermolecular vibrational excitation transfer from solute to solvent: Observation of intermediate states Son, Hyewon
 2013
 1-10 C p. 37-46
10 p.
 artikel
4196 Ultrafast internal conversion in 4-aminobenzonitrile occurs sequentially along the seam Castro, Pedro J.
1-10 C p. 30-36
 artikel
4197 Ultrafast internal rotational dynamics of the azido group in (4S)-azidoproline: Chemical exchange 2DIR spectroscopic investigations Lee, Kyung-Koo
 2012
 1-10 C p. 23-29
7 p.
 artikel
4198 Ultrafast N–H vibrational dynamics of hydrogen-bonded cyclic amide reveal by 2DIR spectroscopy Maiti, Kiran Sankar
 2018
 1-10 C p. 509-512
 artikel
4199 Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum Mignolet, Benoît
 2018
 1-10 C p. 704-709
 artikel
4200 Ultrafast photodissociation dynamics of diphenylcyclopropenone studied by time-resolved impulsive stimulated Raman spectroscopy Kuramochi, Hikaru
1-10 C p. 88-92
 artikel
4201 Ultrafast photoinduced processes in polyatomic molecules: Electronic structure, dynamics and spectroscopy Gelin, Maxim F.
 2018
 1-10 C p. 1-2
 artikel
4202 Ultrafast protein dynamics of hemoglobin as studied by picosecond time-resolved resonance Raman spectroscopy Mizutani, Yasuhisa
 2012
 1-10 C p. 45-52
8 p.
 artikel
4203 Ultrafast quantum imaging in the dissociation of H 2 + via the induced conical intersection of two lowest adiabatic states by strong field laser pulses Daud, Mohammad Noh
1-10 C p.
 artikel
4204 Ultrafast relaxation from 1 L a to 1 L b in pyrene: a theoretical study Roos, Matthias K.
 2018
 1-10 C p. 586-595
 artikel
4205 Ultrafast reorganization of the hole charge created upon outer-valence ionization of porphyrins Kuleff, Alexander I.
 2012
 1-10 C p. 245-251
7 p.
 artikel
4206 Ultrafast transient absorption microscopy: Study of excited state dynamics in PtOEP crystals Davydova, Dar’ya
 2016
 1-10 C p. 69-77
9 p.
 artikel
4207 Ultrafast X-ray spectroscopy as a probe of nonequilibrium dynamics in ruthenium complexes Chang, Jun
 2012
 1-10 C p. 65-70
6 p.
 artikel
4208 Ultrasonic and spectral studies on charge transfer complexes of anisole and certain aromatic amines Rajesh, R.
 2016
 1-10 C p. 34-44
11 p.
 artikel
4209 Ultrathin alumina wrapped TiO2 nanorods for enhance photoelectrochemical performance via atomic layer deposition method Gao, Juan
1-10 C p.
 artikel
4210 Ultraviolet photodissociation spectroscopy of protonated adenosine and its hydrogen-bonded clusters with amino acid enantiomers Nakanishi, Riyo
1-10 C p.
 artikel
4211 Ultraviolet photoelectron spectra of Ce2@C80 and La2@C80 Miyazaki, Takafumi
 2015
 1-10 C p. 71-75
5 p.
 artikel
4212 Ultraviolet photoelectron spectra of Er2@C82 (I), Er2@C82 (III), Er2C2@C82 (I) and Er2C2@C82 (III) Miyazaki, Takafumi
 2012
 1-10 C p. 87-91
5 p.
 artikel
4213 Ultraviolet transient absorption, transient grating and photon echo studies of aqueous tryptophan Ajdarzadeh, Ahmad
 2013
 1-10 C p. 47-52
6 p.
 artikel
4214 Ultraviolet upconversion spectra of sonochemically synthesized doped NaYF4 crystals Yıldırım, Cansu
 2014
 1-10 C p. 46-52
7 p.
 artikel
4215 Unbiased structural search of small copper clusters within DFT Cogollo-Olivo, Beatriz H.
 2015
 1-10 C p. 20-24
5 p.
 artikel
4216 Uncertainty quantification and robust predictive system analysis for high temperature kinetics of HCN/O2/Ar mixture Cheung, Sai Hung
 2016
 1-10 C p. 136-152
17 p.
 artikel
4217 Uncovering molecular relaxation processes with nonlinear spectroscopies in the deep UV West, Brantley A.
 2013
 1-10 C p. 92-104
13 p.
 artikel
4218 Underlying theory of a model for the Renner–Teller effect in any-atomic linear molecules on example of the X 2Πu electronic state of C5 − Mitić, Marko
 2016
 1-10 C p. 55-68
14 p.
 artikel
4219 Understanding ferromagnetism in Ni-doped MoS2 monolayer from first principles Han, Xiaoping
 2020
 1-10 C p.
 artikel
4220 Understanding of structures, dynamics, and hydrogen bonds of imidazolium-based ionic liquid mixture from molecular dynamics simulation Wang, Xueping
 2019
 1-10 C p.
 artikel
4221 Understanding the alkali fusion activation mechanism of quartz treated by sodium hydroxide at atomic level Ge, Wei
1-10 C p.
 artikel
4222 Understanding the coalescence and non-coalescence of underwater oil droplets Chen, Shuai
1-10 C p.
 artikel
4223 Understanding the features in the ultrafast transient absorption spectra of CdSe quantum dots Zhang, Cheng
 2016
 1-10 C p. 157-164
8 p.
 artikel
4224 Understanding the structural properties and thermal stabilities of Au–Pd–Pt trimetallic clusters Zhao, Zheng
 2014
 1-10 C p. 152-158
7 p.
 artikel
4225 Understanding the superior stability and enhanced physical performance of tetragonal XH2 (X = Y, Zr) hydrides over their cubic counterparts via ab-initio computational investigation Islam, Minhajul
1-10 C p.
 artikel
4226 Unexpected formation of 2-methyl-1H-naphtho [2, 3-d] imidazole via decarboxylation governed mechanistic pathway Ali Siddiqui, Zahir
1-10 C p.
 artikel
4227 Unified structure–property appraisal of NIR-emitting Yb3+-activated phosphate glasses Amesimenu, Richard
1-10 C p.
 artikel
4228 Uniformity ansatz for inverse dielectric function of spatially restricted nonlocal polar medium as a novel approach for calculation of electric characteristics of ion–solvent system Vorotyntsev, Mikhail A.
 2019
 1-10 C p. 14-24
 artikel
4229 Unknown Knowns: Case studies in uncertainties in the computation of thermochemical parameters Simmie, John M.
1-10 C p.
 artikel
4230 Unlocking the potential of borophene nanoribbons for efficient hydrogen storage Sakr, Mahmoud A.S.
1-10 C p.
 artikel
4231 Unraveling local structure of molten salt KF-KCl-KI via molecular dynamics simulation Galashev, Alexander Y.
1-10 C p.
 artikel
4232 Unraveling the thermodynamics of the CO2 driven precipitation of cellulose in aqueous NaOH Karna, Nabin Kumar
1-10 C p.
 artikel
4233 Unravelling the loading effect of silver nanoparticles on nickel oxide doped carbon substrate for oxygen reduction and hydrogen evolution reactions Renugadevi, C.
1-10 C p.
 artikel
4234 Unusual heating effect of the elliptically polarized microwave electric field on sodium chloride solution: A molecular dynamics simulation Shi, Hongxiao
1-10 C p.
 artikel
4235 Unusual interfacial phenomena at a surface of fullerite and carbon nanotubes Gun’ko, Vladimir M.
 2015
 1-10 C p. 172-185
14 p.
 artikel
4236 Unusual reaction paths of SN2 nucleophile substitution reactions CH4 +H− →CH4 +H− and CH4 +F− →CH3F+H−: Quantum chemical calculations Minyaev, Ruslan M.
 2013
 1-10 C p. 170-176
7 p.
 artikel
4237 Unveiling an electronic LogP analogue within the conceptual density functional theory framework Halabi Diaz, Andrés
1-10 C p.
 artikel
4238 Unveiling passivation roles of PEA+ in CsPbI2Br surface Hu, Wei
1-10 C p.
 artikel
4239 Unveiling the catalytic versatility of transition metal-doped coal char systems for hydrogen evolution reaction: a first-principles approach Badeji, Abosede Adejoke
1-10 C p.
 artikel
4240 Unveiling the electronic, optical, and thermoelectrical properties of bulk and monolayer AlSiTe3 by first principles Güler, E.
1-10 C p.
 artikel
4241 Unveiling the physical properties of group III-nitride ultrawide band gap semiconductors: β -naphthyldiene, graphenyldiene, and β -naphthylene-based monolayers Laranjeira, José A.S.
1-10 C p.
 artikel
4242 Unveiling the potential of two morphological Ni0.85Se nanostructures as cathode materials for rechargeable magnesium batteries Sun, Kenan
1-10 C p.
 artikel
4243 Unveiling the potential of XInH3 (X = Rb and Cs): A DFT study for solid state hydrogen storage applications Ahmed, Bilal
1-10 C p.
 artikel
4244 Using D-amino acids to delineate the mechanism of protein folding: Application to Trp-cage Culik, Robert M.
 2013
 1-10 C p. 131-134
4 p.
 artikel
4245 Using enveloping distribution sampling to compute the folding free enthalpy of a β-peptide with a very unstable folded conformation in solution: The advantage of focused sampling using EDS Lin, Zhixiong
 2014
 1-10 C p. 156-163
8 p.
 artikel
4246 Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules Spinlove, K.E.
 2017
 1-10 C p. 52-63
 artikel
4247 Utilization of ultra-light carbon foams for the purification of emulsified oil wastewater and their adsorption kinetics Yang, Shuang
1-10 C p. 139-146
 artikel
4248 UV–UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique Sohn, Woon Yong
 2014
 1-10 C p. 21-30
10 p.
 artikel
4249 Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: A DFT investigation Kristian Pingak, Redi
1-10 C p.
 artikel
4250 Vacuum field in a cavity, light-mediated vibrational coupling, and chemical reactivity Zhdanov, Vladimir P.
1-10 C p.
 artikel
4251 Vacuum FTIR observation on hygroscopic properties and phase transition of malonic acid aerosols Shao, Xu
 2017
 1-10 C p. 7-11
5 p.
 artikel
4252 Vacuum ultraviolet spectra of gas phase organophosphorus solvent for nuclear fuel applications: Di-(2-ethyl-hexyl) phosphoric acid Maitra, Tamaghna
1-10 C p.
 artikel
4253 Valence and core-level X-ray photoemission spectroscopy of light-sensitive molecules: Lumazine and alloxazine Ciavardini, Alessandra
1-10 C p.
 artikel
4254 Valence double ionization electron spectra of CH3F, CH3Cl and CH3I Hult Roos, A.
 2017
 1-10 C p. 42-47
6 p.
 artikel
4255 Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran Shojaei, S.H. Reza
 2013
 1-10 C p. 203-211
9 p.
 artikel
4256 Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran Reza Shojaei, S.H.
 2013
 1-10 C p. 17-25
9 p.
 artikel
4257 Validity of isothermal kinetic prediction by advanced isoconversional method Li, Kui
1-10 C p.
 artikel
4258 Van der Waal heterostructure of hBAs and XMY (M = Mo, W; (X ≠ Y) = S, Se) monolayers Alrebdi, Tahani A.
1-10 C p.
 artikel
4259 Van-der-Waals based solvates of C60 with CBr2Cl2 and CBr2(CH3)2 Ye, Jin
 2016
 1-10 C p. 39-45
7 p.
 artikel
4260 Van der Waals heterostructure of Janus transition metal dichalcogenides monolayers (WSSe-WX2 (X=S, Se)) Alrebdi, Tahani A.
1-10 C p.
 artikel
4261 Van der Waals potential and vibrational energy levels of the ground state radon dimer Sheng, Xiaowei
 2017
 1-10 C p. 111-114
4 p.
 artikel
4262 Variance of an anisotropic Bose-Einstein condensate Klaiman, Shachar
1-10 C p. 45-54
 artikel
4263 Various formulations of the Fock-space coupled-cluster method: Advantages and disadvantages in their practical implementations Meissner, Leszek
 2012
 1-10 C p. 136-145
10 p.
 artikel
4264 Vertical stacking approach for tailoring electronic and optical properties of ultrathin two-dimensional vdW heterostructures of P-MAB (M=Ti, Zr, Hf; A=S, B=Se) Alrebdi, Tahani A.
1-10 C p.
 artikel
4265 Very stable open form of 2H-naphthopyran: A theoretical study Tkachenko, Ella V.
1-10 C p.
 artikel
4266 Vibrational and distorted-wave effects on the highest occupied molecular orbital electronics structure of tetrachloromethane Ding, Li
1-10 C p.
 artikel
4267 Vibrational and Rotational Gaussian Binning selections on QCT calculations for the OH + D2 → HOD((vHO’, vHOD’, vOD’), J’) + D reaction Sierra Murillo, José Daniel
1-10 C p.
 artikel
4268 Vibrational and vibronic coherences in the dynamics of the FMO complex Liu, Xiaomeng
 2016
 1-10 C p. 272-280
9 p.
 artikel
4269 Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy Maekawa, Hiroaki
 2013
 1-10 C p. 22-30
9 p.
 artikel
4270 Vibrational damping effects on electronic energy relaxation in molecular aggregates Jakučionis, Mantas
 2018
 1-10 C p. 193-202
 artikel
4271 Vibrational dynamics in solid methanol investigated through inelastic neutron scattering and molecular dynamics simulations Colognesi, Daniele
1-10 C p.
 artikel
4272 Vibrational effects in the shape resonant photoionization leading to the A 2 T 1 u state of SF 6 + Jose, J.
 2015
 1-10 C p. 64-70
7 p.
 artikel
4273 Vibrational effects on the valence electronic structure of acetaldehyde: An electron momentum spectroscopy investigation Abderahem, Mahliya
1-10 C p.
 artikel
4274 Vibrational effects on UV/Vis laser-driven π-electron ring currents in aromatic ring molecules Mineo, H.
 2014
 1-10 C p. 103-110
8 p.
 artikel
4275 Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model Fujisaki, Hiroshi
 2017
 1-10 C p. 86-92
 artikel
4276 Vibrational energy transport in molecules and the statistical properties of vibrational modes Pandey, Hari Datt
 2017
 1-10 C p. 81-85
 artikel
4277 Vibrational excitations of proteins and their hydration water in the far-infrared range Paciaroni, A.
 2013
 1-10 C p. 80-83
4 p.
 artikel
4278 Vibrational heavy atom effect controls relaxation and spectral diffusion in triphenyl hydride complexes Pyles, Cynthia G.
1-10 C p. 98-103
 artikel
4279 Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions Hu, Wei
 2015
 1-10 C p. 20-25
6 p.
 artikel
4280 Vibrationally resolved absorption and fluorescence spectra of perylene and N-substituted derivatives from autocorrelation function approaches Xiong, Tao
 2018
 1-10 C p. 728-736
 artikel
4281 Vibrational polarizabilities of hydrogen-bonded water Torii, Hajime
 2013
 1-10 C p. 90-96
7 p.
 artikel
4282 Vibrational population dynamics of methyl formate in CCl4 solution Kim, Seongheun
 2017
 1-10 C p. 37-44
 artikel
4283 Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistry Bâldea, Ioan
 2017
 1-10 C p. 311-318
 artikel
4284 Vibrational relaxation dynamics of a potential local infrared probe: Isocyanate Zhou, Liang
1-10 C p.
 artikel
4285 Vibrational relaxation dynamics of catalysts on TiO2 Rutile (110) single crystal surfaces and anatase nanoporous thin films Ricks, Allen M.
 2013
 1-10 C p. 264-271
8 p.
 artikel
4286 Vibrational relaxation of NO3 −(aq) Knak Jensen, Svend J.
 2014
 1-10 C p. 86-92
7 p.
 artikel
4287 Vibrational relaxation of NO stretching modes in ferrous NO and ferric NO in model heme Park, Jaeheung
 2013
 1-10 C p. 107-114
8 p.
 artikel
4288 Vibrational relaxation of small anions in a polymer film Dunkelberger, Adam D.
1-10 C p. 75-81
 artikel
4289 Vibrational spectral dynamics and ion-probe interactions of the hydrogen-bonded liquids in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide Biswas, Aritri
1-10 C p.
 artikel
4290 Vibrational spectra of chiral 3FmX1PhX26 homologues (m = 5, 6; X1 = H, f; X2 = F) in isotropic liquid, smectic and crystal phases Deptuch, Aleksandra
1-10 C p.
 artikel
4291 Vibrational spectra study of phosphorus dendrimer containing azobenzene, ammonium and carbamate groups Furer, V.L.
 2013
 1-10 C p. 57-67
11 p.
 artikel
4292 Vibrational spectroscopy modeling of a drug in molecular solvents and enzymes Devereux, Christian J.
 2017
 1-10 C p. 1-9
9 p.
 artikel
4293 Vibrational state-selected photodissociation of ClO+ Daniel Freeman, C.
 2012
 1-10 C p. 43-49
7 p.
 artikel
4294 Vibrational states of the triplet electronic state of H 3 + . The role of non-adiabatic Jahn–Teller coupling Alijah, Alexander
 2015
 1-10 C p. 43-50
8 p.
 artikel
4295 Vibrational studies of saccharide-induced lipid film reorganization at aqueous/air interfaces Link, Katie A.
1-10 C p. 104-110
 artikel
4296 Vibrational sum–frequency generation spectroscopy of ionic liquid 1‐butyl‐3‐methylimidazolium tris(pentafluoroethyl)trifluorophosphate at the air–water interface Saha, Ankur
 2016
 1-10 C p. 14-22
9 p.
 artikel
4297 Vibronic absorption spectra of the angular fused bisindolo- and biscarbazoloanthracene blue fluorophores for OLED applications Baryshnikov, Gleb V.
1-10 C p. 105-111
 artikel
4298 Vibronic coupling effects on the structure and spectroscopy of neutral and charged TiO2 clusters Taylor, Daniel J.
 2012
 1-10 C p. 1-10
10 p.
 artikel
4299 Vibronic coupling model to calculate the photoelectron spectrum of phenol Taylor, M.P.
 2018
 1-10 C p. 719-727
 artikel
4300 Vibronic effects and destruction of exciton coherence in optical spectra of J-aggregates: A variational polaron transformation approach Bloemsma, E.A.
 2016
 1-10 C p. 250-261
12 p.
 artikel
4301 Vicinal effect on chlorination of diols Nogueira, Diogo
1-10 C p.
 artikel
4302 Viscosity-dependent structural fluctuation of the M80-containing Ω-loop of horse ferrocytochrome c Kumar, Rajesh
 2013
 1-10 C p. 57-64
8 p.
 artikel
4303 Visible-light photocatalytic fuel cell with BiVO4/UiO-66/TiO2/Ti photoanode efficient degradation of Rhodamine B and stable generation of electricity Liu, Yongqin
1-10 C p.
 artikel
4304 Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides Lee , Hosik
 2013
 1-10 C p. 156-160
5 p.
 artikel
4305 Visible light responsive La and Fe co-doped NaTaO3 photocatalysts: Local structure around dopants Sudrajat, Hanggara
1-10 C p.
 artikel
4306 Visualising the role of non-perturbative environment dynamics in the dissipative generation of coherent electronic motion Chin, A.W.
 2019
 1-10 C p.
 artikel
4307 Vivid structural colors of photonic crystals: Self-assembly of monodisperse silica nano-colloids synthesized using an anionic surfactant Abraham, Leggins
1-10 C p.
 artikel
4308 V2O5-Au nanocomposite film cathode with enhanced electrochemical performance for lithium-ion micro batteries Hongliang, Li
1-10 C p.
 artikel
4309 Volt-ampere characteristics of porcine retinal Müller cell intermediate filaments Makarov, Vladimir
 2020
 1-10 C p.
 artikel
4310 VSCF calculations for the intra- and intermolecular vibrational modes of the water dimer and its isotopologs Monteiro, João G.S.
 2016
 1-10 C p. 81-90
10 p.
 artikel
4311 Water clusters confined in icosahedral fullerene cavities Hernández-Rojas, J.
 2012
 1-10 C p. 240-244
5 p.
 artikel
4312 Water diffusion in carbon nanotubes under directional electric frields: Coupling between mobility and hydrogen bonding de Freitas, Débora N.
1-10 C p.
 artikel
4313 Water effect on CO2 absorption for hydroxylammonium based ionic liquids: A molecular dynamics study Aparicio, Santiago
 2012
 1-10 C p. 118-125
8 p.
 artikel
4314 Water imbibition into nonpolar nanotubes with extended topological defects Ramazani, Farzaneh
 2016
 1-10 C p. 23-28
6 p.
 artikel
4315 Water-mediated weakening of inter-ionic interactions in aqueous mixtures of ionic liquid: An investigation combining quantum chemical calculations and molecular dynamics simulations Konar, Sukanya
 2019
 1-10 C p. 31-39
 artikel
4316 Water molecules in ultrashort intense laser fields Petretti, Simon
 2013
 1-10 C p. 45-52
8 p.
 artikel
4317 Water rotation barriers on protein molecular surfaces Tompa, K.
 2015
 1-10 C p. 15-25
 artikel
4318 Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer Yao, Hiroshi
 2017
 1-10 C p. 149-156
8 p.
 artikel
4319 Water transport through the inward combined carbon nanotube Wang, L.Y.
1-10 C p.
 artikel
4320 Wave function identity: A new symmetry for 2-electron systems in an electromagnetic field Slamet, Marlina
1-10 C p.
 artikel
4321 Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems Pape, Daniel
 2012
 1-10 C p. 157-169
13 p.
 artikel
4322 Wavelength dependence of chiral recognition using ions between photoexcited tryptophan and sugars Murashima, Hiromori
1-10 C p.
 artikel
4323 Wavelength dependence of high-harmonic yield in stretched molecules Yue, Shengjun
 2017
 1-10 C p. 56-60
 artikel
4324 Wavelet-based linear-response time-dependent density-functional theory Natarajan , Bhaarathi
 2012
 1-10 C p. 29-40
12 p.
 artikel
4325 Weak carbonyl-methyl intermolecular interactions in acetone clusters explored by IR plus VUV spectroscopy Guan, Jiwen
 2012
 1-10 C p. 117-123
7 p.
 artikel
4326 Weighted nodal domain averages of eigenstates for quantum Monte Carlo and beyond Mitas, Lubos
1-10 C p.
 artikel
4327 Welan gum as a new depressant for the flotation separation of chalcopyrite from talc Liu, Xinxin
1-10 C p.
 artikel
4328 Weldability modification of conductive silver adhesion for piezoelectric composite material by co-doping of metal material and oxide material Zhou, Xingli
 2019
 1-10 C p. 237-246
 artikel
4329 Where does the energy go in fs-relaxation? Fuß, Werner
 2013
 1-10 C p. 96-103
8 p.
 artikel
4330 White-light-controlled resistive switching chearacteristics of TiO2/Cu2O composite nanorods array Sun, Bai
 2015
 1-10 C p. 28-31
4 p.
 artikel
4331 Why is there no clear glass transition of confined water? Swenson, Jan
 2013
 1-10 C p. 20-25
6 p.
 artikel
4332 Wiener indices of zigzag single walled carbon nanotubes and related nanotories Ghosh, Tapanendu
1-10 C p.
 artikel
4333 183W nuclear dipole moment determined by gas-phase NMR spectroscopy Garbacz, Piotr
 2017
 1-10 C p. 7-11
 artikel
4334 XAS structural characterization of La1−xAxCoO3 doped with calcium and barium as a function of temperature Gomes, Washington C.M.
 2017
 1-10 C p. 67-74
8 p.
 artikel
4335 Xenon condensation in a harmonic confinement Nazarkin, A.V.
1-10 C p.
 artikel
4336 X-ray absorption investigation of titanium oxynitride nanoparticles obtained from laser pyrolysis Simon, Pardis
 2013
 1-10 C p. 47-56
10 p.
 artikel
4337 X-ray/gamma radiation attenuation and cytotoxic properties of Gadolinium doped Maghemite nanoparticles Manjunatha, S.
1-10 C p.
 artikel
4338 Y3+ doping induced phase segregation and its influence on luminescence of SrLaGa3O7: Mn4+ Du, Qian
1-10 C p.
 artikel
4339 Ytterbium doped silicon clusters YbSi n (n =4–10) and their anions: Structures, thermochemistry, and electron affinities Xie, Xiaohong
 2015
 1-10 C p. 11-19
9 p.
 artikel
4340 Zeolitic imidazolate framework-7: Novel ammonia atmosphere-assisted synthesis, thermal and chemical durability, phase reversibility and potential as highly efficient nanophotocatalyst Ebrahimi, Arash
 2018
 1-10 C p. 33-45
 artikel
4341 Zeptoampere electric current measurements with molecular tagging Gorbunov, B.
1-10 C p. 112-115
 artikel
4342 Zero-field splitting in the isoelectronic aqueous Gd(III) and Eu(II) complexes from a first principles analysis Khan, S.
 2018
 1-10 C p. 56-64
 artikel
4343 Zero-point averaged dynamics of Ar n + He 1000 : Dopant-size influence on potential-energy surfaces, mass spectra and fragmentation patterns Bonhommeau, David A.
1-10 C p.
 artikel
4344 ZIF-8 derived ZnFe2O4 nanoparticles as a high-performance anode material for lithium-ion batteries Tang, Fei
1-10 C p.
 artikel
4345 Zinc-blende to rock-salt structural phase transition of BP and BAs under high pressure Sarwan, Madhu
 2013
 1-10 C p. 1-8
8 p.
 artikel
4346 Zn-doped Bi2O2CO3: Synthesis, characterization and photocatalytic properties Guo, Gaijuan
1-10 C p.
 artikel
4347 ZnI2/SnS2 van der Waals heterojunction: A high-efficiency direct Z-type photocatalyst for overall water-splitting predicted from first-principles calculation Zhang, Yan
1-10 C p.
 artikel
4348 Zn modification of Beta zeolite: Effect on acid sites and propylene oxide rearrangement Zhang, Baoqiang
1-10 C p.
 artikel
4349 ZnS/MoS2 film grown on Mo foil as binder free electrode for supercapacitor Ma, Ying
1-10 C p.
 artikel
4350 Z-scheme WSTe/MoSSe van der Waals heterojunction as a hydrogen evolution photocatalyst: First-principles predictions Tian, Lei
1-10 C p.
 artikel
                             4350 gevonden resultaten
 
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