| no |
title |
author |
magazine |
year |
volume |
issue |
page(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
|
436-437 |
C |
p. 20-25
6 p.
|
article
|
| 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
|
436-437 |
C |
p. 7-17
11 p.
|
article
|
| 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.
|
|
|
436-437 |
C |
p.
|
article
|
| 4004 |
The origin of fluorescence in DNA thio-analogues
|
Karsili, Tolga N.V.
|
|
2018
|
436-437 |
C |
p. 434-440
|
article
|
| 4005 |
The origin of the transition voltage of gold–alkanedithiol–gold molecular junctions
|
Xiang, An
|
|
2016
|
436-437 |
C |
p. 40-45
6 p.
|
article
|
| 4006 |
Theory of attosecond delays in laser-assisted photoionization
|
Dahlström, J.M.
|
|
2013
|
436-437 |
C |
p. 53-64
12 p.
|
article
|
| 4007 |
The photocatalysis application of a new carbon nitrogen material and atomic doping to improve photocatalytic efficiency
|
Tan, Xiangyang
|
|
|
436-437 |
C |
p.
|
article
|
| 4008 |
The photocathodic properties of a Fe2O3 wrapped CuFeO2 layer on ITO glass for water splitting
|
Cheng, Xiaorong
|
|
|
436-437 |
C |
p. 241-245
|
article
|
| 4009 |
The photoelectric properties of 2D ZnO/black phosphorus heterostructures with different electric field
|
Zhao, Yanfang
|
|
|
436-437 |
C |
p.
|
article
|
| 4010 |
The photoelectrochemical properties of FTO/WO3/BiVO4/TiO2 photoanode for water splitting
|
Shen, Huanyu
|
|
|
436-437 |
C |
p.
|
article
|
| 4011 |
The potential application of zinc oxide nanotubes as sensors for NH3 detection: A DFT study
|
Saadh, Mohamed J.
|
|
|
436-437 |
C |
p.
|
article
|
| 4012 |
The potential impact of the graphene oxide on the cytochrome c − from the insight of electron transfer theory
|
Wu, Wenze
|
|
|
436-437 |
C |
p.
|
article
|
| 4013 |
The preferential permeation of ions across carbon and boron nitride nanotubes
|
Sardroodi, Jaber Jahanbin
|
|
2012
|
436-437 |
C |
p. 105-112
8 p.
|
article
|
| 4014 |
The protonated water trimer and its giant Fermi resonances
|
Samala, Nagaprasad Reddy
|
|
2018
|
436-437 |
C |
p. 164-175
|
article
|
| 4015 |
The quadrapolar character of the Markovnikov reaction transition state
|
Franzen, Stefan
|
|
2016
|
436-437 |
C |
p. 46-54
9 p.
|
article
|
| 4016 |
The quest for the carbene bent-pentadiynylidene isomer of C5H2
|
Thimmakondu, Venkatesan S.
|
|
2018
|
436-437 |
C |
p. 411-417
|
article
|
| 4017 |
The radical SeCl: A theoretical contribution to the characterization of its low-lying electronic states
|
Hermoso, Willian
|
|
2012
|
436-437 |
C |
p. 98-101
4 p.
|
article
|
| 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.
|
|
|
436-437 |
C |
p.
|
article
|
| 4019 |
The relativistic all-electron ab initio calculations on the multiplet electronic structure of U3+ ion
|
Roy, Soumendra K.
|
|
|
436-437 |
C |
p.
|
article
|
| 4020 |
The response of structure and vibrational modes of 1, 3-diamino-2, 4, 6-trinitrobenzene (DATB) to pressure
|
Hong, Dan
|
|
|
436-437 |
C |
p.
|
article
|
| 4021 |
Thermal annealing induced tunable localized surface plasmon resonance of Au/Ag bimetallic thin film
|
Ji, Jialin
|
|
|
436-437 |
C |
p.
|
article
|
| 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.
|
|
|
436-437 |
C |
p.
|
article
|
| 4023 |
Thermal damping of odd-even effects in gold clusters
|
Hansen, K.
|
|
|
436-437 |
C |
p.
|
article
|
| 4024 |
Thermal diffusion factor of Stockmayer mixtures: A non-equilibrium molecular dynamic study
|
Yeganegi, Saeid
|
|
2013
|
436-437 |
C |
p. 119-123
5 p.
|
article
|
| 4025 |
Thermal dissociation of the singly protonated Arginine: Competition between side-chain and backbone fragmentation
|
Gu, Meng
|
|
|
436-437 |
C |
p.
|
article
|
| 4026 |
Thermal evaporated C60 modified by Pt as counter electrode for dye-sensitized solar cells
|
Yang, Xiu De
|
|
|
436-437 |
C |
p. 73-77
|
article
|
| 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
|
|
|
436-437 |
C |
p.
|
article
|
| 4028 |
Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states
|
Wang, Duo
|
|
|
436-437 |
C |
p.
|
article
|
| 4029 |
Thermal pyrolysis investigation of self-assembled molecular monolayer for defect-free doping in silicon
|
Zhi, Kanru
|
|
|
436-437 |
C |
p.
|
article
|
| 4030 |
Thermal stability and detonation character of nitro-substituted derivatives of cytosine
|
Li, Butong
|
|
|
436-437 |
C |
p.
|
article
|
| 4031 |
Thermal stability of Al-Cu-Fe-Cr-Ni high entropy alloy bulk and nanoparticle structure: A molecular dynamics perspective
|
Zeng, Ziming
|
|
2019
|
436-437 |
C |
p. 126-130
|
article
|
| 4032 |
Thermal transport across Cu-Metal-Carbon nanotube interfaces enhanced by effective interfacial interaction
|
Wang, Xin
|
|
|
436-437 |
C |
p.
|
article
|
| 4033 |
Thermochemical nonequilibrium analysis of O2+Ar based on state-resolved kinetics
|
Kim, Jae Gang
|
|
2015
|
436-437 |
C |
p. 76-85
|
article
|
| 4034 |
Thermochromism of pure alkanols and water versus its polarizability
|
Catalán, Javier
|
|
2019
|
436-437 |
C |
p. 99-103
|
article
|
| 4035 |
Thermodynamic and acoustic studies of quercetin with sodium dodecyl sulfate in hydro-ethanolic solvent systems: A flavonoid-surfactant interaction study
|
Abbot, Vikrant
|
|
|
436-437 |
C |
p.
|
article
|
| 4036 |
Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
|
Eskandari Nasrabad, A.
|
|
|
436-437 |
C |
p. 36-44
|
article
|
| 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
|
436-437 |
C |
p. 34-41
|
article
|
| 4038 |
Thermodynamic modeling of phase equilibrium in aqueous systems to recover boron acid from the brines
|
Sun, Shuaiqi
|
|
|
436-437 |
C |
p.
|
article
|
| 4039 |
Thermodynamic model of phase equilibrium and isomerization in photoactive azobenzene-based materials
|
Soulé, Ezequiel R.
|
|
|
436-437 |
C |
p.
|
article
|
| 4040 |
Thermodynamic properties of interacting like-rod chains: Entropic sampling simulations
|
Ferreira, Lucas S.
|
|
2019
|
436-437 |
C |
p. 119-125
|
article
|
| 4041 |
Thermodynamics and dynamics of the hard-sphere system: From stable to metastable states
|
Bomont, Jean-Marc
|
|
2014
|
436-437 |
C |
p. 85-94
10 p.
|
article
|
| 4042 |
Thermodynamics and kinetics of nucleation in binary solutions
|
Alekseechkin, Nikolay V.
|
|
2019
|
436-437 |
C |
p. 138-154
|
article
|
| 4043 |
Thermodynamics of free radical scavenging activity of deprotonated hibiscetin towards reactive oxygen and nitrogen species
|
Ragi, C.
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 32-39
|
article
|
| 4045 |
Thermodynamic stability of ibuprofen loaded poloxamer micelles
|
Kacar, Gokhan
|
|
|
436-437 |
C |
p.
|
article
|
| 4046 |
Thermodynamic study of interactions between 1-alkanol and butanone
|
Almasi, Mohammad
|
|
2019
|
436-437 |
C |
p.
|
article
|
| 4047 |
Thermodynamic study of quercetin and rutin mixtures with alcohols
|
Szymczyk, Katarzyna
|
|
2018
|
436-437 |
C |
p. 6-11
|
article
|
| 4048 |
Thermoelectric transport properties of magnetic carbon-based organic chains
|
Tan, F.X.
|
|
2020
|
436-437 |
C |
p.
|
article
|
| 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.
|
|
|
436-437 |
C |
p.
|
article
|
| 4050 |
Thermophysical properties of helium and hydrogen mixtures under high pressure predicted by ab-initio calculations: Implications for Saturn and Jupiter planets
|
Zidane, Mustapha
|
|
|
436-437 |
C |
p.
|
article
|
| 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.
|
|
|
436-437 |
C |
p.
|
article
|
| 4052 |
The role of codons during a natural selection
|
Pinčák, Richard
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 67-75
9 p.
|
article
|
| 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
|
436-437 |
C |
p. 115-122
8 p.
|
article
|
| 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
|
436-437 |
C |
p. 142-155
14 p.
|
article
|
| 4056 |
The role of heavy atom effect in regulating multiple-resonance and thermally activated delayed fluorescence features: A theoretical perspective
|
Yang, Xuelu
|
|
|
436-437 |
C |
p.
|
article
|
| 4057 |
The role of intermolecular interactions of aromatic sandwich dimer ligands for the half-titanocene catalysts: Theoretical study
|
Gao, Yi
|
|
|
436-437 |
C |
p.
|
article
|
| 4058 |
The role of intramolecular interactions on the stability of the conformers of a spiropyran derivative
|
Menzonatto, Thiago G.
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 86-92
|
article
|
| 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
|
436-437 |
C |
p. 17-23
7 p.
|
article
|
| 4061 |
The role of proton configurations in the absorption characteristics of trefoil-shaped Salicylaldehyde Azine derivatives: The electronic structure calculation analysis.
|
Fukuhima, Akinori
|
|
|
436-437 |
C |
p.
|
article
|
| 4062 |
The role of quadratic frequency chirps in the photodissociation dynamics of
D
2
+
|
Csehi, András
|
|
2017
|
436-437 |
C |
p. 97-104
|
article
|
| 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
|
|
|
436-437 |
C |
p.
|
article
|
| 4064 |
The role of 1πσ∗ states in the formation of adenine radical-cations in DNA duplexes
|
Karsili, Tolga N.V.
|
|
2018
|
436-437 |
C |
p. 464-471
|
article
|
| 4065 |
The role of structural symmetry on proton tautomerization: A DFTB/Meta-Dynamics computational study
|
Raptakis, Antonios
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 603-613
|
article
|
| 4067 |
The role of traps with arbitrary distribution in photoinduced charge carrier dynamics in semiconductor quantum dots
|
Nikiforov, Victor G.
|
|
|
436-437 |
C |
p.
|
article
|
| 4068 |
The rovibrational nature of closed-shell third-row triatomics: HOX and HXO, X=Si+, P, S+, and Cl
|
Kitchens, Mason J.R.
|
|
2016
|
436-437 |
C |
p. 119-127
9 p.
|
article
|
| 4069 |
The Se–H bond of benzeneselenols (ArSe-H): Relationship between bond dissociation enthalpy and spin density of radicals
|
Nam, Pham Cam
|
|
2013
|
436-437 |
C |
p. 18-25
8 p.
|
article
|
| 4070 |
The selective heavy metal ions adsorption of zinc oxide nanoparticles from dental wastewater
|
Gu, Mengqin
|
|
|
436-437 |
C |
p.
|
article
|
| 4071 |
The selectivity consideration on Cu cluster between HER and CO2 reduction
|
Zhang, S.
|
|
|
436-437 |
C |
p.
|
article
|
| 4072 |
The shift of excitation spectra at blue edge of emission (BEEmS) as a new methodology to probe heterogeneity
|
Das, Nilimesh
|
|
|
436-437 |
C |
p.
|
article
|
| 4073 |
The Side-chain design of rhodamine dye and the performance research of photocatalytic hydrogen production system by the first principles
|
Jiao, Yuqiu
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 29-39
11 p.
|
article
|
| 4075 |
The structural and electronic properties of monovalent sidewall functionalized double-walled carbon nanotubes
|
Jalili, Seifollah
|
|
2012
|
436-437 |
C |
p. 91-95
5 p.
|
article
|
| 4076 |
The structure and desorption properties of the ammines of the group II halides
|
Jones, Martin Owen
|
|
2013
|
436-437 |
C |
p. 38-43
6 p.
|
article
|
| 4077 |
The study of atomic structure parameters of n = 2-n = 3 for Cl XII ion
|
Tang, Wei
|
|
|
436-437 |
C |
p.
|
article
|
| 4078 |
The study of mechanical and thermoelectric behavior of MgXO3 (X = Si, Ge, Sn) for energy applications by DFT
|
Mahmood, Q.
|
|
2019
|
436-437 |
C |
p. 106-112
|
article
|
| 4079 |
The study of phase equilibria in the CsHSO4–CsH2PO4–NH4H2PO4–H2O system
|
Timakov, I.S.
|
|
|
436-437 |
C |
p.
|
article
|
| 4080 |
The thermodynamic property for the particle confined in a linear potential
|
Wang, De-hua
|
|
|
436-437 |
C |
p.
|
article
|
| 4081 |
The torsional spectrum of the hydrogen trioxide molecule
|
Pitsevich, G.A.
|
|
|
436-437 |
C |
p.
|
article
|
| 4082 |
The tunable electronic and optical properties of WS2/PtO2 heterojunctions are calculated by first principles
|
Duan, Weiwei
|
|
|
436-437 |
C |
p.
|
article
|
| 4083 |
The tunable electronic structure and optical properties of vacancy-ordered double perovskites Tl2PdBr
x
Cl6-
x
(x = 0, 2, 4, 6)
|
Peng, Huan
|
|
|
436-437 |
C |
p.
|
article
|
| 4084 |
The tunneling splitting and the Kramers theory of activated processes
|
Pravatto, Pierpaolo
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
|
|
436-437 |
C |
p.
|
article
|
| 4086 |
The use of plate-type electric force field for the explicit simulations of electrochemical CO dimerization on Cu(111) surface
|
Liao, Chen-Cheng
|
|
|
436-437 |
C |
p.
|
article
|
| 4087 |
The vacuum UV photoabsorption spectroscopy of the geminal ethylene difluoride (1,1-C2H2F2). The vibrational structure and its analysis
|
Locht, R.
|
|
2012
|
436-437 |
C |
p. 124-136
13 p.
|
article
|
| 4088 |
The vibrational Jahn–Teller effect in E⊗e systems
|
Thapaliya, Bishnu P.
|
|
2015
|
436-437 |
C |
p. 31-42
12 p.
|
article
|
| 4089 |
The Zero Point Position in Morse’s potential and accurate prediction of thermal expansion in metals
|
Benassi, Enrico
|
|
2018
|
436-437 |
C |
p. 323-335
|
article
|
| 4090 |
Thiapillar[5]arenes: Structures, Properties, and Host-Guest chemistry
|
Xie, Ju
|
|
|
436-437 |
C |
p.
|
article
|
| 4091 |
Thiophene oligomer based NIR dyes: Photophysical properties and application in dye sensitized solar cells
|
Panja, Sumit Kumar
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 1-3
|
article
|
| 4093 |
Three-dimensional Langevin dynamics of N atom scattering from N-covered Ag(111)
|
Kang, Kai
|
|
|
436-437 |
C |
p.
|
article
|
| 4094 |
Three-pulse multiplex coherent anti-Stokes/Stokes Raman scattering (CARS/CSRS) microspectroscopy using a white-light laser source
|
Bito, Kotatsu
|
|
2013
|
436-437 |
C |
p. 156-162
7 p.
|
article
|
| 4095 |
Through space and through bridge channels of charge transfer at p-n nano-junctions: A DFT study
|
Dandu, Naveen
|
|
2016
|
436-437 |
C |
p. 144-156
13 p.
|
article
|
| 4096 |
Thymoquinone-Micellar Interactions: A physico-chemical investigation at molecular level
|
Nadeem, Iram
|
|
|
436-437 |
C |
p.
|
article
|
| 4097 |
Time-dependent formalism of double ionization of multielectron atomic targets
|
Yip
, F.L.
|
|
2013
|
436-437 |
C |
p. 112-120
9 p.
|
article
|
| 4098 |
Time-dependent framework for energy and charge currents in nanoscale systems
|
Lehmann, Thomas
|
|
2018
|
436-437 |
C |
p. 176-182
|
article
|
| 4099 |
Time-dependent synthesis of molybdenum disulfide for efficient electrocatalysts
|
Ghanashyam, Gyawali
|
|
|
436-437 |
C |
p.
|
article
|
| 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
|
436-437 |
C |
p. 47-53
7 p.
|
article
|
| 4101 |
Time of flight transients in the dipolar glass model
|
Novikov
, S.V.
|
|
2012
|
436-437 |
C |
p. 68-73
6 p.
|
article
|
| 4102 |
Time resolved excitation dynamics in emeraldine base
|
Menšík, Miroslav
|
|
2015
|
436-437 |
C |
p. 79-84
6 p.
|
article
|
| 4103 |
Time-resolved FTIR spectroscopy for monitoring protein dynamics exemplified by functional studies of Ras protein bound to a lipid bilayer
|
Kötting, Carsten
|
|
2012
|
436-437 |
C |
p. 72-83
12 p.
|
article
|
| 4104 |
Time-resolved high-harmonic spectroscopy of valence electron dynamics
|
Kraus, Peter M.
|
|
2013
|
436-437 |
C |
p. 32-44
13 p.
|
article
|
| 4105 |
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Ultraviolet photodissociation spectroscopy of protonated adenosine and its hydrogen-bonded clusters with amino acid enantiomers
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Ultraviolet transient absorption, transient grating and photon echo studies of aqueous tryptophan
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Understanding the superior stability and enhanced physical performance of tetragonal XH2 (X = Y, Zr) hydrides over their cubic counterparts via ab-initio computational investigation
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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
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UV–UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique
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Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: A DFT investigation
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Vacuum FTIR observation on hygroscopic properties and phase transition of malonic acid aerosols
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Valence and core-level X-ray photoemission spectroscopy of light-sensitive molecules: Lumazine and alloxazine
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Various formulations of the Fock-space coupled-cluster method: Advantages and disadvantages in their practical implementations
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Vibrational and Rotational Gaussian Binning selections on QCT calculations for the OH + D2 → HOD((vHO’, vHOD’, vOD’), J’) + D reaction
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Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy
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Vibrational effects in the shape resonant photoionization leading to the A
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Vibrational effects on UV/Vis laser-driven π-electron ring currents in aromatic ring molecules
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Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model
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Vibrational energy transport in molecules and the statistical properties of vibrational modes
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Vibrational excitations of proteins and their hydration water in the far-infrared range
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Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions
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Vibrationally resolved absorption and fluorescence spectra of perylene and N-substituted derivatives from autocorrelation function approaches
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Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistry
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Vibrational spectra study of phosphorus dendrimer containing azobenzene, ammonium and carbamate groups
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Visible-light photocatalytic fuel cell with BiVO4/UiO-66/TiO2/Ti photoanode efficient degradation of Rhodamine B and stable generation of electricity
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Water effect on CO2 absorption for hydroxylammonium based ionic liquids: A molecular dynamics study
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Water imbibition into nonpolar nanotubes with extended topological defects
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Water-mediated weakening of inter-ionic interactions in aqueous mixtures of ionic liquid: An investigation combining quantum chemical calculations and molecular dynamics simulations
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Water molecules in ultrashort intense laser fields
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Petretti, Simon
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Water rotation barriers on protein molecular surfaces
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| 4318 |
Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer
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Water transport through the inward combined carbon nanotube
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Wave function identity: A new symmetry for 2-electron systems in an electromagnetic field
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| 4321 |
Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems
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Wavelength dependence of high-harmonic yield in stretched molecules
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Yue, Shengjun
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Wavelet-based linear-response time-dependent density-functional theory
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Weak carbonyl-methyl intermolecular interactions in acetone clusters explored by IR plus VUV spectroscopy
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Guan, Jiwen
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Weighted nodal domain averages of eigenstates for quantum Monte Carlo and beyond
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Mitas, Lubos
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Welan gum as a new depressant for the flotation separation of chalcopyrite from talc
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Weldability modification of conductive silver adhesion for piezoelectric composite material by co-doping of metal material and oxide material
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Zhou, Xingli
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2019
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436-437 |
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Where does the energy go in fs-relaxation?
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Fuß, Werner
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White-light-controlled resistive switching chearacteristics of TiO2/Cu2O composite nanorods array
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Sun, Bai
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Why is there no clear glass transition of confined water?
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Wiener indices of zigzag single walled carbon nanotubes and related nanotories
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183W nuclear dipole moment determined by gas-phase NMR spectroscopy
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Garbacz, Piotr
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XAS structural characterization of La1−xAxCoO3 doped with calcium and barium as a function of temperature
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Gomes, Washington C.M.
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Xenon condensation in a harmonic confinement
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X-ray absorption investigation of titanium oxynitride nanoparticles obtained from laser pyrolysis
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Simon, Pardis
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X-ray/gamma radiation attenuation and cytotoxic properties of Gadolinium doped Maghemite nanoparticles
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Y3+ doping induced phase segregation and its influence on luminescence of SrLaGa3O7: Mn4+
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Ytterbium doped silicon clusters YbSi
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Zeolitic imidazolate framework-7: Novel ammonia atmosphere-assisted synthesis, thermal and chemical durability, phase reversibility and potential as highly efficient nanophotocatalyst
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Ebrahimi, Arash
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Zeptoampere electric current measurements with molecular tagging
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Zero-field splitting in the isoelectronic aqueous Gd(III) and Eu(II) complexes from a first principles analysis
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Khan, S.
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Zero-point averaged dynamics of
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ZIF-8 derived ZnFe2O4 nanoparticles as a high-performance anode material for lithium-ion batteries
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Zinc-blende to rock-salt structural phase transition of BP and BAs under high pressure
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Zn-doped Bi2O2CO3: Synthesis, characterization and photocatalytic properties
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ZnI2/SnS2 van der Waals heterojunction: A high-efficiency direct Z-type photocatalyst for overall water-splitting predicted from first-principles calculation
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Zn modification of Beta zeolite: Effect on acid sites and propylene oxide rearrangement
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ZnS/MoS2 film grown on Mo foil as binder free electrode for supercapacitor
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Ma, Ying
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| 4350 |
Z-scheme WSTe/MoSSe van der Waals heterojunction as a hydrogen evolution photocatalyst: First-principles predictions
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Tian, Lei
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Journal description