| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1001 |
2D Janus piezoelectric iridium trihalide Ir2X3Y3 with potential application in photocatalysts for water splitting
|
Feng, Ying-Xue
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1002 |
Does the protonation of superhalogen anions always lead to superacids?
|
Czapla, Marcin
|
|
2016
|
1-10 |
C |
p. 46-51
6 p.
|
artikel
|
| 1003 |
Doping charge transfer in Pt/CNT systems induced by laser power heating
|
Oliveira, A.C.
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1004 |
Doping effect of chalcogens on electronic and optical properties of perovskite LiNbO3 compound: Ab initio calculations
|
Ait Brahim, I.
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1005 |
Doping effects in the alanine-black phosphorene interactions: First principles studies
|
Calvario-Coyotl, Javier
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1006 |
Doping of titania with manganese for improving cycling and rate performances in lithium-ion batteries
|
Opra, D.P.
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1007 |
Dramatically enhanced mechanical properties of diamond-like carbon films on polymer substrate for flexible display devices via argon plasma pretreatment
|
Lee, Jen-Ai
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1008 |
Dressed bound states for attosecond dynamics in strong laser fields
|
Yakovlev, V.S.
|
|
2013
|
1-10 |
C |
p. 26-31
6 p.
|
artikel
|
| 1009 |
3d transition metal anchored boron nitride edge for CO2 reduction reaction: A DFT study
|
Guo, Wenlong
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1010 |
Dual 5f character in two allotropes of uranium trihydride studied via a first principles calculation
|
Li, Ru-song
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1011 |
Dual frequency-comb spectroscopy of chromophores in condensed phases
|
Kim, JunWoo
|
|
2019
|
1-10 |
C |
p. 122-137
|
artikel
|
| 1012 |
Dy3+ → Eu3+ energy transfer induced tunable luminescence in disordered La3Ga5SiO14:Dy3+/Eu3+ phosphors
|
Luo, Qingli
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1013 |
Dynamical behavior of molecular partial charges implied by the far-infrared spectral profile of liquid water
|
Torii, Hajime
|
|
|
1-10 |
C |
p. 165-170
|
artikel
|
| 1014 |
Dynamical consequences of time-reversal symmetry for systems with odd number of electrons: Conical intersections, semiclassical dynamics, and topology
|
Wang, Ruixi
|
|
2018
|
1-10 |
C |
p. 3-20
|
artikel
|
| 1015 |
Dynamical interaction between protein molecules and their hydration shell
|
Parak, Fritz G.
|
|
2013
|
1-10 |
C |
p. 45-49
5 p.
|
artikel
|
| 1016 |
Dynamical mechanism of charge separation by photoexcited generation of proton–electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study
|
Yamamoto, Kentaro
|
|
2016
|
1-10 |
C |
p. 39-53
15 p.
|
artikel
|
| 1017 |
Dynamical propagation of nanosecond pulses in Naphthalocyanines and Phthalocyanines
|
Miao, Quan
|
|
2016
|
1-10 |
C |
p. 12-16
5 p.
|
artikel
|
| 1018 |
Dynamical properties of nimodipine molecules confined in SBA-15 matrix
|
Kiwilsza, A.
|
|
2016
|
1-10 |
C |
p. 126-130
5 p.
|
artikel
|
| 1019 |
Dynamic coherence in excitonic molecular complexes under various excitation conditions
|
Chenu, Aurélia
|
|
2014
|
1-10 |
C |
p. 100-110
11 p.
|
artikel
|
| 1020 |
Dynamic interference in the resonance-enhanced multiphoton ionization of hydrogen atoms by short and intense laser pulses
|
Müller, Anne D.
|
|
|
1-10 |
C |
p. 145-150
|
artikel
|
| 1021 |
Dynamics and energetics of the K(
2
S
) + H
2
(
X
1
Σ
g
+
) reaction: Significance of orientational and (ro)vibrational contribution
|
Yeswanth Kumar, Santhakumar
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1022 |
Dynamics and ferroelectric phase transition of (C3N2H5)5Bi2Br11 by means of ac calorimetry and 1H NMR relaxometry
|
Przesławski, J.
|
|
2013
|
1-10 |
C |
p. 19-24
6 p.
|
artikel
|
| 1023 |
Dynamics and vibrational coupling of methyl acetate dissolved in ethanol
|
Stogiannidis, G.
|
|
2019
|
1-10 |
C |
p. 1-9
|
artikel
|
| 1024 |
Dynamics of a room temperature ionic liquid under applied pressure
|
Osti, Naresh C.
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1025 |
Dynamics of bio-convection agrawal axisymmetric flow of water-based Cu-TiO2 hybrid nanoparticles through a porous moving disk with zero mass flux
|
Khan, Umair
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1026 |
Dynamics of CCl bond fission in photodissociation of 2-furoyl chloride at 235nm
|
Saha, Ankur
|
|
2012
|
1-10 |
C |
p. 74-82
9 p.
|
artikel
|
| 1027 |
Dynamics of charge at water-to-semiconductor interface: Case study of wet [001] anatase TiO2 nanowire
|
Huang, Shuping
|
|
2016
|
1-10 |
C |
p. 184-190
7 p.
|
artikel
|
| 1028 |
Dynamics of hydrogen bonds and vibrational spectral diffusion in liquid methanol from first principles simulations with dispersion corrected density functional
|
Kumar Yadav, Vivek
|
|
2013
|
1-10 |
C |
p. 1-7
7 p.
|
artikel
|
| 1029 |
Dynamics of polar aromatic molecules confined in a nanocavity of δ-phase of syndiotactic polystyrene as studied by dielectric spectroscopy
|
Kobayashi, Hideo
|
|
2016
|
1-10 |
C |
p. 122-128
7 p.
|
artikel
|
| 1030 |
Dynamics of proton collisions with acetylene, ethylene and ethane at 30eV
|
Gao
, Cong-Zhang
|
|
2013
|
1-10 |
C |
p. 9-18
10 p.
|
artikel
|
| 1031 |
Dynamics of the spin-boson model: A comparison of the multiple Davydov
D
1
,
D
1.5
,
D
2
Ansätze
|
Chen, Lipeng
|
|
2018
|
1-10 |
C |
p. 108-118
|
artikel
|
| 1032 |
Dynamics of two-stage direct three-body recombination of ions
|
Azriel, Vladimir M.
|
|
2013
|
1-10 |
C |
p. 26-34
9 p.
|
artikel
|
| 1033 |
Dynamics studies of the H + DBr and D + HBr reactions by time-dependent wave packet method
|
Zhang, Zhijun
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1034 |
Dynamics studies of the Si+(2P) + D2 reaction by using quantum and quasi-classical methods
|
Yu, Shunxia
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1035 |
Dynamic study of photo-generated charge transport in BiI3 and Cs3Bi2I9
|
Shi, Zhili
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1036 |
Dynamic symmetries and quantum nonadiabatic transitions
|
Li, Fuxiang
|
|
2016
|
1-10 |
C |
p. 28-33
6 p.
|
artikel
|
| 1037 |
Editorial
|
Fujii, Masaaki
|
|
2013
|
1-10 |
C |
p. 1-
1 p.
|
artikel
|
| 1038 |
Editorial
|
Peláez, Daniel
|
|
|
1-10 |
C |
p. 1-2
|
artikel
|
| 1039 |
Editorial Board
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1040 |
Editorial Board
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1041 |
Editorial Board
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1042 |
Editorial Board
|
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|
1-10 |
C |
p.
|
artikel
|
| 1043 |
Editorial Board
|
|
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|
1-10 |
C |
p.
|
artikel
|
| 1044 |
Editorial Board
|
|
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|
1-10 |
C |
p.
|
artikel
|
| 1045 |
Editorial Board
|
|
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|
1-10 |
C |
p.
|
artikel
|
| 1046 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1047 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1048 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1049 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1050 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1051 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1052 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1053 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1054 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1055 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1056 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1057 |
Editorial Board
|
|
|
|
1-10 |
C |
p. ii
|
artikel
|
| 1058 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1059 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1060 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1061 |
Editorial Board
|
|
|
2018
|
1-10 |
C |
p. ii
|
artikel
|
| 1062 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1063 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1064 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1065 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1066 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1067 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1068 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1069 |
Editorial Board
|
|
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2020
|
1-10 |
C |
p.
|
artikel
|
| 1070 |
Editorial Board
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1071 |
Editorial Board
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1072 |
Editorial Board
|
|
|
2019
|
1-10 |
C |
p. ii
|
artikel
|
| 1073 |
Editorial Board
|
|
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|
1-10 |
C |
p.
|
artikel
|
| 1074 |
Editorial Board
|
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|
1-10 |
C |
p.
|
artikel
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| 1075 |
Editorial Board
|
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|
1-10 |
C |
p.
|
artikel
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| 1076 |
Editorial Board
|
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|
1-10 |
C |
p.
|
artikel
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| 1077 |
Editorial Board
|
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|
1-10 |
C |
p.
|
artikel
|
| 1078 |
Editorial Board
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|
1-10 |
C |
p.
|
artikel
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| 1079 |
Editorial Board
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|
1-10 |
C |
p.
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artikel
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| 1080 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1081 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1082 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1083 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1084 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1085 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1086 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1087 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1088 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1089 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1090 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1091 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1092 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1093 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1094 |
Editorial Board
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1-10 |
C |
p. ii
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artikel
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| 1095 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1096 |
Editorial Board
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1-10 |
C |
p. ii
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artikel
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| 1097 |
Editorial Board
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1-10 |
C |
p. ii
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artikel
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| 1098 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1099 |
Editorial Board
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1-10 |
C |
p. ii
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artikel
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| 1100 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1101 |
Editorial Board
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1-10 |
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artikel
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| 1102 |
Editorial Board
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1-10 |
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| 1103 |
Editorial Board
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1-10 |
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| 1104 |
Editorial Board
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| 1105 |
Editorial Board
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| 1106 |
Editorial Board
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| 1107 |
Editorial Board
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artikel
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| 1108 |
Editorial Board
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1-10 |
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| 1109 |
Editorial Board
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| 1110 |
Editorial Board
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| 1111 |
Editorial Board
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| 1112 |
Editorial Board
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1-10 |
C |
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| 1113 |
Editorial Board
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| 1114 |
Editorial Board
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1-10 |
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| 1115 |
Editorial Board
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p.
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| 1116 |
Editorial Board
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1-10 |
C |
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artikel
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| 1117 |
Editorial Board
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| 1118 |
Editorial Board
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| 1119 |
Editorial Board
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| 1120 |
Editorial Board
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| 1121 |
Editorial Board
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| 1122 |
Editorial Board
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| 1123 |
Editorial Board
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| 1124 |
Editorial Board
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| 1125 |
Editorial Board
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| 1126 |
Editorial Board
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| 1127 |
Editorial Board
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C |
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artikel
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| 1128 |
Editorial Board
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artikel
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| 1129 |
Editorial Board
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C |
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| 1130 |
Editorial Board
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C |
p.
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artikel
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| 1131 |
Editorial Board
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C |
p.
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artikel
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| 1132 |
Editorial Board
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C |
p.
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artikel
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| 1133 |
Editorial Board
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1-10 |
C |
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artikel
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| 1134 |
Editorial Board
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C |
p.
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artikel
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| 1135 |
Editorial Board
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1-10 |
C |
p.
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artikel
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| 1136 |
Editorial – Electron correlation
|
|
|
2012
|
1-10 |
C |
p. 1-
1 p.
|
artikel
|
| 1137 |
Editorial of Special Issue of Chemical Physics “Neutrons Scattering Highlights on Water and Biological Systems”
|
Magazù, Salvatore
|
|
2013
|
1-10 |
C |
p. 1-
1 p.
|
artikel
|
| 1138 |
E
×
e
Jahn–Teller effect in the
P
4
+
cation and its signatures in the photoelectron spectrum of P4
|
Bhattacharyya, Swarnendu
|
|
2015
|
1-10 |
C |
p. 51-55
5 p.
|
artikel
|
| 1139 |
Effective electromagnetic wave absorption strategy: Unlocking the potential of NiCo2O4 as an absorber
|
Gao, Mingyang
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1140 |
Effective intermolecular potential and critical point for C60 molecule
|
Ramos, J. Eloy
|
|
2017
|
1-10 |
C |
p. 5-11
7 p.
|
artikel
|
| 1141 |
Effectively controlling luminescent property and the ESIPT behavior of styryl dyes by atomic substituent
|
Zhuang, Hongbin
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1142 |
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Effect of γ-substituted poly(ɛ-caprolactone) chain length on its coil-to-globule transition temperature in water: A molecular dynamics simulation study
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Effect of the N-terminal residues on the quaternary dynamics of human adult hemoglobin
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Effects of bispherical nanopore concavo-convex walls on fluid structure, tangential and normal pressure components, and the validity of well-established bulk regularities; a DFT approach
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Effects of coexistence of Mo and Zn vacancies with different valence states and interstitial H on the magneto-optical properties of ZnO: First-principles calculations
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Effects of electromagnetic fields on the nonlinear optical properties of asymmetric double quantum well under intense laser field
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Elastic, lattice dynamical and thermal properties of zinc-blende CdSe
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Electroabsorption spectroscopy of electronic transition for room-temperature ionic liquid molecules dispersed in a polymer matrix
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Electrocatalytic nitrogen fixation performance of two-dimensional Metal-Organic Frameworks Cu3(C6O6) and TM/Cu3(C6O6) from first-principle study
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Electrochemical anomalies of protic ionic liquid – Water systems: A case study using ethylammonium nitrate – Water system
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Electrochemical determination of 4-nitrophenol using functionalized graphene oxide/functionalized multi-walled carbon nanotubes hybrid material modified glassy carbon electrode
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Electrochemical evaluation of low crystalline CoFe2O4@Reduced graphene oxide nanocomposite for hybrid supercapacitor application
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Electrodes for GaOHPc:PCBM/P3HT:PCBM bulk heterojunction solar cell
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Electron dynamics across molecular wires: A time-dependent configuration interaction study
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Electronic and magnetic properties of CrGen
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Electronic and thermoelectric properties of RbYSn half-Heusler compound with 8 valence electrons: Spin-orbit coupling effect
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Electronic band structure, thermodynamics and optical characteristics of BeO1−
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Electronic properties of two adjacent intramolecular hydrogen bonds and their effects to the molecular charge distribution: Experimental synchrotron microcrystal and DFT computational study
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Electronic spectroscopy of lumiflavin in superfluid helium nanodroplets
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Electronic structure with the calculation of the rovibrational, and dipole moments of the electronic states of the NaBr and KBr molecules
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Electronic transitions in a series of 2-azaazulene polymethine dyes with different π-conjugation lengths
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Electronic transitions of the purpurin dye. UV-Vis polarization spectroscopy and quantum chemical predictions
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Electronic transport properties of molecular junctions based on the direct binding of aromatic ring to electrodes
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Electronic transport properties of tetracene molecular junctions formed with different metallic electrodes
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Electron impact cross section of C5H10 isomers
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Electron impact excitation of the merocyanine molecule in the gas phase
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Electron momentum spectroscopy study of 1,3-dimethyladamantane: Methyl substitution effects on the outer valence orbitals
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Electron momentum spectroscopy study of outer valence electronic structure of pyrrole
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Electron-proton transfer mechanism of excited-state hydrogen transfer in phenol−(NH3)
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Electrons and nuclei in motion: Correlation and dynamics in molecules
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Electron scattering in a helium Debye plasma
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Electron-vibrational coupling decreases trapping by low-energy states in photosynthesis
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Electron-vibration relaxation in oxygen plasmas
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Electrooptic Kerr effect of porphyrin H-aggregates in polymer films: Polymer specific spectral blue shift
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Electrospun nano-Ir anchored mesoporous carbon nanofibers for hydrogen evolution reaction
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Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide: Rotational and orientational distributions
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Ellipsometric study of the optical transitions of PC60BM and PC70BM thin films
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Elucidating state-specific dynamics of 1La and 1Lb in cyanoindole derivatives using UV/Vis pump IR detection
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Elucidating the binding mechanism between bovine serum albumin and TiO2 nanoparticles with diverse properties: Insights from spectroscopic methods and molecular docking simulation
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Emergence of innovative properties by replacement of nitrogen atom with phosphorus atom in quaternary ammonium ionic liquids: Insights from ab initio calculations and MD simulations
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Emission behavior of sudan red 7B on dogbone-shaped gold nanorods: Aspect ratio dependence of the metallic nanostructures
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Emission of x rays in collisions of xenon ions with metal surfaces
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Empirical assignment of absorbing electronic state contributions to OCS photodissociation product state populations from 214 to 248 nm
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Empirical rate equation for association reactions and ion–molecule reactions
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Empirical rate formula for ion-dipolar molecule reactions
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Enantiospecific adsorption of propranolol enantiomers on naturally chiral copper surface: A molecular dynamics simulation investigation
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Encapsulation driven conformational changes in n-alkanes inside a hydrogen-bonded supramolecular cavitand assembly
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Endohedral complexes of Polyhedral Oligomeric Silsesquioxane (POSS) cages with transition metal dihydrides
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Energetics at extremes in Coulomb explosion of large finite systems
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Energy-based fragmentation contribution approach for calculating the fluorescence spectrum of biomacromolecules
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Energy disposal into the vibrational degrees of freedom of bimolecular reaction products: Key factors and simple model
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Energy flow in the Photosystem I supercomplex: Comparison of approximative theories with DM-HEOM
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Energy levels and far-infrared optical absorption of impurity doped semiconductor nanorings: Intense laser and electric fields effects
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Energy relaxation pathways and their isotope effects of water bending mode in liquid phase: A nonequilibrium ab initio molecular dynamics simulation study
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Energy separation calculations of the vibrational ground state in the Jahn-Teller E ⊗ e system and application to nitrate radical
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Energy spectrum of interacting gas: Cluster expansion method
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Energy transfer and clustering of photosynthetic light-harvesting complexes in reconstituted lipid membranes
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Energy transfer and relaxation mechanisms in Cytochrome c
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Energy transfer times in fluorographene-based biomimetic light harvesting antennae
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Engineering of Pr3+ doped M type PbFe12O19 hexaferrites to enhance photocatalytic degradation of nicotine
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Engineering the half-metallic and magnetic semiconductor natures in gallium phosphide monolayer towards spintronic applications
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Engineering the orbital splitting and electronic reoccupation at alkali-metal-doped perovskites with face-shared IrO6 octahedral dimers
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Enhanced catalytic elimination of chlorobenzene over Ru/TiO2 modified with SnO2—Synergistic performance of oxidation and acidity
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Enhanced CO2 reduction on transition metal-doped AlN and GaN quantum dots: A DFT study
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Enhanced cyclability and dynamic properties of P2-type Na0.59Co0.20Mn0.80O2 cathode by B-doping for sodium storage
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Enhanced DFT predictions of the structural and optoelectronic properties of MoTe2 for high performance photodetection: Application to GW-based functionals and Hubbard U and V corrections
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Enhanced dye degradation using MIL-53(Fe)-Modified kraft lignin as a heterogeneous Fenton catalyst
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Enhanced intersystem crossing due to long-range exchange interaction in copper(II) porphyrin-free base porphyrin dimers: HOMO and spacer dependence
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Enhanced luminescence of Eu3+ doped β-PbF2 oxyfluoride glass ceramics for a new optical thermometry by charge compensation and local lattice symmetry breaking
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Enhanced optoelectronic functionality of N + H codoped monoclinic WO3: A hybrid functional study
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Enhanced photocatalytic performance of Cr doped MgO/Bi2O3 nanocomposite for efficient hydroxylation of benzene to phenol under visible-light irradiation
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Enhanced photocatalytic performance of Nd3+-doped TiO2 nanosphere under visible light
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Enhanced photocatalytic removal of tetracycline by ZnO/NiCo2O4 through the construction of a p-n heterojunction
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Enhanced Stokes-shift and dispersibility in non-polar PMMA solvent of CdTe quantum dots by silica coating
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Enhanced two-photon absorption and fluorescence upconversion in Thioflavin T micelle-type aggregates in glycerol/water solution
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Donnelly, Julie
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Enhanced visible light photocatalytic activity of Cu2+-doped Ag3PO4 nanoparticles
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Enhanced VOCs adsorption on Group VIII transition metal-doped MoS2: A DFT study
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Enhancement of current commensurate with mutual noise–noise correlation in a symmetric periodic substrate: The benefits of noise and nonlinearity
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Enhancement of electrochemical performance of hydrothermally synthesized CoNiO2/PANI for OER efficiency
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Enhancement of fluorescence in anthracene by chlorination: Vibronic coupling and transition dipole moment density analysis
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Enhancement of molecular field-free orientation by utilizing a modulated two-color laser field
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Yu, Jie
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Enhancement of monolayer SnSe light absorption by strain engineering: A DFT calculation
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Enhancement of photoluminescence of Cd0.95Eu0.05SiO3 phosphor using Na+ and K+ as charge compensators
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Enhancement of transport properties of a Brownian particle due to quantum effects: Smoluchowski limit
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Shit, Anindita
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Enhancements of luminescent properties of CaZrO3:Eu3+ by A+ (A = Li, Na, K)
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Enhancing extraction of photogenerated excitons from semiconducting carbon nanotube films as photocurrent
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Enhancing interfacial thermal conductivity of copper-carbon nanotube array composite via metallic bonding: Molecular dynamics simulations
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Enhancing oxygen reduction through proton transfer: Exploring the catalytic role of ajoene as a proton facilitator
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Enhancing photocatalytic performance for H2O2 production by constructing triazine-heptazine-based carbon nitride and coupling lignin CC bond cleavage
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Enhancing the electrochemical and mechanical performance of LiFePO4 cathode material by ternary doping of Mn, Ti, and N
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En route to the transformation of porphyrin molecules for PDT: Theoretical insights on the reactive oxygen generation of 1D nano-wires and 2D covalent organic frameworks
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Entangled photons from single atoms and molecules
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Entanglement of the molecular photodissociation products at avoided crossings and conical intersections
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Grebenshchikov, Sergy Yu.
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Entner-Doudoroff glycolysis pathway as quadratic-cubic mixed autocatalytic network: A kinetic assay
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Entropy-enthalpy compensation in conjugated proteins
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Environmental effects on the dynamics in the light-harvesting complexes LH2 and LH3 based on molecular simulations
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Mallus, Maria Ilaria
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Enzymatic CS bond cleavage: Mechanism for the conversion of methanesulfonate to sulfite by flavin-dependent MsuD monooxygenase
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Enzyme self-aggregation in supramolecular self-assembly of glucose oxidase and catalase: Insight from molecular dynamics simulation based on coarse-grained method
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EPFR formation from phenol adsorption on Al2O3 and TiO2: EPR and EELS studies
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Equations of motion for a time-dependent open system: An algebraic approach
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Equilibrium state energy: Atoms
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Erratum to “γ-Ray radiolysis and theoretical study on radical ions of star-shaped oligofluorenes having a truxene or isotruxene as a core” [http://dx.doi.org/10.1016/j.chemphys.2012.12.035]
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Erratum to “Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran” [Chem. Phys. 417 (2013) 17–25]
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Establishing the role of shear viscosity on the rate constants of conformational fluctuations in unsaturated aldehydes
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Estimation of maximum absorption wavelength of polymethine dyes in visible and near-infrared region based on time-dependent density functional theory
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Estimation of optical chemical shift in nuclear spin optical rotation
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Ethanol electrooxidation on highly active palladium/graphene oxide aerogel catalysts
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Ethanol monomer revisited: Thermal isomerisation between anti and gauche conformers in Ar and N2 matrix
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Ether bond effects in quaternary ammonium and phosphonium ionic liquid-propanol solutions
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Ethylbenzene and ethylene glycol molecular adsorption studies on novel P-silicane sheets - A first-principles investigation
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Evaluating the catalytic potential of Lithium-decorated graphene quantum dots for small molecule activation
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Evaluation of binding mode between anticancer drug etoposide and human serum albumin by numerous spectrometric techniques and molecular docking
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Evaluation of the performance of MP4-based procedures for a wide range of thermochemical and kinetic properties
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Evaporation of silicon nanoparticles under scanning tunneling microscope control
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Evidence for competing proton-transfer and hydrogen-transfer reactions in the S1 state of indigo
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Evidence for excited-state intramolecular proton transfer in 4-chlorosalicylic acid from combined experimental and computational studies: Quantum chemical treatment of the intramolecular hydrogen bonding interaction
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Evidence for stepwise excited state double proton transfer process in quinolone–pyrazole triggered by methanol solvent
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Evidences for phase transition and metallization in β-In2S3 at high pressure
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| 1451 |
Evolution of crystalline misorientations in polycrystalline samples of pure ice
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Evolution of photoelectric conversion and device stability of PM6:N2200 all-polymer solar cells
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Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature
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Exact analytical calculations of thermodynamic functions of gaseous substances
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Khordad, R.
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p. 30-35
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Exact eigenenergies of a model of vibronically coupled electron transfer reactions
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Lu, Yangyi
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Examination of properties of nanocages (B18N18 and B18P18) as anode electrodes in metal-ion batteries
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Chen, Lian
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2019
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p. 279-284
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Examination of saturation coverage of anisotropic particles with three distinctive orientations
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Examining the uniform strain effect on elastic, electronic and optical properties of CsPbCl3 through FP-LAPW calculations
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Excellent visible light absorption and ultra-high photoelectric conversion efficiency of two-dimensional (MoSe2)x(MoSTe)1-x mosaic heterostructures
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Exceptional second harmonic generation responses, switchable dielectric behaviours, and ferroelectric property in an adduct of hexamethylene-tetramine·bisnopinic acid
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Yang, Chang-Shan
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2018
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p. 66-71
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Excimer formation in 9,10-dichloroanthracene – Solutions and crystals
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p. 82-89
8 p.
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Excitation dynamics and relaxation in a molecular heterodimer
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Balevičius Jr., V.
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p. 94-102
9 p.
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Excitation kinetics of impurity doped quantum dot driven by Gaussian white noise: Interplay with external field
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Pal, Suvajit
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2013
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p. 54-58
5 p.
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Excitation kinetics of quantum dot induced by damped propagation of dopant: Role of confinement potential and magnetic field
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Pal, Suvajit
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2013
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p. 15-19
5 p.
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Excitation of the lowest CO2 vibrational states by electrons in hypersonic boundary layers
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Armenise, I.
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2017
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p. 11-24
14 p.
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Excitation quenching in polyfluorene polymers bound to (6,5) single-wall carbon nanotubes
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Eckstein, Angela
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2016
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p. 1-5
5 p.
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| 1467 |
Excited electronic states of MnO4
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Almeida, Nuno M.S.
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2015
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p. 86-91
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Excited-state deactivation mechanisms of VIO system based on the non-adiabatic dynamics simulations
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Chen, Xiaohang
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| 1469 |
Excited-state dynamics of a ruthenium(II) catalyst studied by transient photofragmentation in gas phase and transient absorption in solution
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Imanbaew, D.
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2014
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p. 53-61
9 p.
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Excited state dynamics of nitrogen reactive intermediates at the threshold of laser induced filamentation
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Arnold, Bradley R.
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2012
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p. 9-15
7 p.
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Excited-state dynamics of oxazole: A combined electronic structure calculations and dynamic simulations study
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Cao, Jun
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2016
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p. 25-35
11 p.
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| 1472 |
Excited state dynamics of PPI dendrimers functionalized with 4-(4′-ethoxybenzoyloxy)salicylaldehyde chromophores
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Franckevičius, M.
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2013
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p. 77-83
7 p.
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Excited-state hydrogen bonding: Detecting ammonia using an HHTP-DPB covalent organic framework
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Han, Ping
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Excited state intramolecular proton transfer in 1,4-dihydroxyanthraquinone
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Su, Peiyuan
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| 1475 |
Excited state photodissociation dynamics of 2-, 3-, 4-hydroxyacetophenone: Theoretical study
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Dyakov, Yuri A.
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2018
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p. 672-678
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| 1476 |
Excited state potential energy surfaces of bistridentate RuII complexes – A TD-DFT study
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Österman, Tomas
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2012
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p. 76-82
7 p.
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| 1477 |
Excited state properties of 2′-hydroxychalcone analogues functionalized with a diene moiety studied by steady state and laser flash photolysis
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Shinozaki, Yukino
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2018
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1-10 |
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p. 15-18
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| 1478 |
Excited-state proton transfer of photoexcited pyranine in water observed by femtosecond stimulated Raman spectroscopy
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Han, Fangyuan
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2013
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p. 204-219
16 p.
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| 1479 |
Excited states dissociation dynamics of indole-x-carboxaldehyde (x = 4, 5, 6, 7): Theoretical and experimental study
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Dyakov, Yuri A.
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2018
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p. 543-549
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| 1480 |
Exciton annihilation as a probe of the light-harvesting antenna transition into the photoprotective mode
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Rutkauskas, Danielis
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2012
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p. 123-128
6 p.
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Exciton diffusion, annihilation and their role in the charge carrier generation in fluorene based copolymers
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Peckus, D.
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2012
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6 p.
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| 1482 |
Exciton dynamics in an energy up-converting solid state system based on diphenylanthracene doped with platinum octaethylporphyrin
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Karpicz, R.
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2014
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p. 57-62
6 p.
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Exciton dynamics in branched conducting polymers: Quantum graphs based approach
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| 1484 |
Excitonic and vibronic spectra of Frenkel excitons in a two-dimensional simple lattice
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Lalov, I.J.
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2013
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p. 71-80
10 p.
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| 1485 |
Excitonic homogeneous broadening in single-wall carbon nanotubes
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Nguyen
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2013
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p. 102-111
10 p.
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Excitonic model and circular dichroism spectrum of bacteriorhodopsin
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Lalov, I.J.
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Exciton quantum dynamics in the molecular logic gates for quantum computing
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| 1488 |
Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules
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Li, Hao
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2016
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p. 124-132
9 p.
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| 1489 |
Excitons in semiconductor carbon nanotubes: A momentum-space perspective
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Goupalov
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2013
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p. 20-28
9 p.
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Exciton states and optical absorption in core/shell/shell spherical quantum dot
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Hayrapetyan, D.B.
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p. 26-30
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| 1491 |
Execution of a quantum algorithm for calculating energies of some quantum mechanical systems
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Chaganti, Siddhartha K.
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| 1492 |
Experimental and computational study on antioxidant activity and molecular properties of novel ferrocenyl Schiff bases
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Fahad Shahzad, M.
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p.
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| 1493 |
Experimental and quantum computational studies of benzotriazole pyridine-2-carboxylic acid crystals
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Manopradha, N.
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p.
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| 1494 |
Experimental and theoretical evaluation of the clonazepam adsorption onto carbon nanotubes
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Ghalkhani, Masoumeh
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| 1495 |
Experimental and theoretical gas-phase absorption spectra of thionated uracils
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Mayer, Dennis
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| 1496 |
Experimental and theoretical spectroscopic analysis, hydrogen bonding, reduced density gradient and antibacterial activity study on 2-Phenyl quinoline alkaloid
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Priscilla, J.
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| 1497 |
Experimental and theoretical studies of hydrolysis of nerve agent sarin by binuclear zinc biomimetic catalysts
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Guo, Nan
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2015
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8 p.
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| 1498 |
Experimental and theoretical studies of the second- and third-order NLO properties of a semi-organic compound: 6-Aminoquinolinium iodide monohydrate
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Silva, Pedro S. Pereira
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2014
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p. 67-74
8 p.
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| 1499 |
Experimental and theoretical study of magnetic field effect on EIT resonances in a multilevel V-type atomic system
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Das, Chandan
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p.
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Experimental and theoretical study of the excited-state tautomerism of 6-azauracil in water surroundings
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Yankov, Evelin P.
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2018
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C |
p. 663-671
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| 1501 |
Experimental and theoretical study of valence electron structure of cyclopentane: Electron momentum spectroscopy and molecular dynamics sampling
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Liu, Tuo
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| 1502 |
Experimental and theoretical study on interaction of the potassium cation with antamanide
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Makrlík, Emanuel
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2014
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C |
p. 85-88
4 p.
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| 1503 |
Experimental and theoretical study on the cooperative interaction of the ethanolammonium cation with a hexaarylbenzene-based receptor
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Makrlík, Emanuel
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2012
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p. 86-90
5 p.
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| 1504 |
Experimental demonstration of a microwave non-thermal effect in DMSO-NaCl aqueous solution
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Tian, Wenyan
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2020
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| 1505 |
Experimental investigation and DFT calculation of different amine/ammonium salts adsorption on oxidized coal
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Chen, Jun
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| 1506 |
Experimental (IR) and theoretical (LDA) studies of the structure and vibrational-reorientational dynamics of ferroelastic 1-aminopyridinium iodide
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Owczarek, M.
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2012
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8 p.
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| 1507 |
Experimental methodology for the accurate stochastic calibration of catalytic recombination affecting reusable spacecraft TPS
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del Val, Anabel
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p.
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| 1508 |
Experimental study on the interaction forces between water droplets and mineral surfaces
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Wang, Junchao
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| 1509 |
Explanation of the difference in temperature and pressure dependences of the Debye relaxation and the structural α-relaxation near Tg
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Ngai, K.L.
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| 1510 |
Explanations of the changes of dynamics at the liquid-liquid transition in phosphonium ionic liquids
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Ngai, K.L.
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| 1511 |
Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems
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Hehn, Anna-Sophia
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2016
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Exploiting charge transport for improving fill factor in flexible all-polymer solar cells
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Li, Chunting
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| 1513 |
Exploiting the Bi-doping effect on the properties of NaNbO3 perovskite -type materials
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Vlazan, Paulina
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| 1514 |
Exploration for the stabilities of CHN7 and CN7
−: A theoretical study on the formation and dissociation mechanisms
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Yu, Tao
|
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2018
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1-10 |
C |
p. 27-32
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| 1515 |
Exploration of In-silico screening of therapeutic agents against SARS-CoV-2
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Thakur, Yamini
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| 1516 |
Exploration of structural, mechanical and opto-electronic properties of Mg3PBr3 perovskite: A comparative DFT study
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Mishra, Krishna Kumar
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| 1517 |
Exploration of the potential energy surfaces of the
Cu
2
+
(
MeOH
)
n
=
9
,
10
clusters: Solvent phase vs gas phase
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Da-yang, Tabouli Eric
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Exploring adsorption and desorption characteristics of molecular hydrogen on neutral and charged Mg nanoclusters: A first principles study
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Banerjee, Paramita
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2016
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C |
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9 p.
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| 1519 |
Exploring changes in structural, electronic and elastic properties of TiO2 under pressure: A DFT investigation
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Samat, M.H.
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| 1520 |
Exploring chemical bonding nature, weak exciton effect, electronic, optical and thermoelectric properties of NaReN2 via DFT computations
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Vijay, A.
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| 1521 |
Exploring different dopant materials in conjunction with iron oxide and analyzing their characterization and magnetic properties
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Arunkumar, B.
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| 1522 |
Exploring enhanced hydrogen adsorption on Ti doped Al nanoclusters: A DFT study
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Boruah, Bishwajit
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2019
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1-10 |
C |
p. 123-133
|
artikel
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| 1523 |
Exploring how molluscan purple has survived throughout the Ages: The excited state dynamics of 6,6′-dibromoindigotin
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Cohen, Trevor
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| 1524 |
Exploring modeling techniques for predicting band gaps of Doped-ZnO: A Machine learning approach
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Lamouadene, Hajar
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| 1525 |
Exploring pentavalent phosphorous bonding in phosphoryl chloride-halocarbon heterodimers at low temperatures and ab initio Computations
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Sruthi, P.K.
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| 1526 |
Exploring pressure induced innovations in the essential physical properties of niobium based perovskite oxides: A first principles analysis
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Iqbal, Shahid
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| 1527 |
Exploring reactive species of chlorocarbons and oxygen atom generation at low temperatures using electron gun assembly
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Ramanathan, N.
|
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2019
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C |
p.
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|
| 1528 |
Exploring superior photocatalytic behaviour of novel 2D/1D-NiFe2O4/Bi2O4 hybrid photocatalyst for efficacious degradation of methylene blue
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Sasikala, Parthasarathy
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| 1529 |
Exploring the binding interaction between bovine serum albumin and perindopril as well as influence of metal ions using multi-spectroscopic, molecular docking and DFT calculation
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Wang, Bao-Li
|
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| 1530 |
Exploring the chemical physics in tetraphenylporphyrin-N-methylfulleropyrrolidine supramolecular complex by spectroscopic investigations and quantum chemical calculations
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Sankar Saha, Shiv
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| 1531 |
Exploring the dynamics of RNA molecules with multiscale Gaussian network model
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Wang, Shihao
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| 1532 |
Exploring the feasibility of hexa-peri-hexabenzocoronene nanographene and its doped analogues for Ca-ion Batteries: A density functional theory investigation
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Buenaño, Luis
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| 1533 |
Exploring the impact of constraints in quantum optimal control through a kinematic formulation
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Donovan, Ashley
|
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2013
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1-10 |
C |
p. 46-54
9 p.
|
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| 1534 |
Exploring the low-index surfaces of D52-La2O3 from the first-principles calculations
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Sun, H.F.
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| 1535 |
Exploring the mechanism of alkali‑oxygen oxidation of Yilan oil shale to carboxylic acids using a combined experimental and theoretical method
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Liu, Yan-Jun
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| 1536 |
Exploring the mechanism of diphenylmethanol oxidation: A combined experimental and theoretical approach
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Menachery, Sunil Paul M.
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C |
p. 201-208
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| 1537 |
Exploring the multifaceted properties of BC
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semiconductor monolayer: Insights from density functional theory
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Kakil, Shaida Anwer
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| 1538 |
Exploring the opto-electronic and charge transfer nature of F-BODIPY derivatives at molecular level: A theoretical perspective
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Chaudhry, Aijaz Rasool
|
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2019
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| 1539 |
Exploring the potential of inorganic cubic halide perovskites RbSrM3 (M=Cl, Br) for advanced optoelectronic applications: A DFT study
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Riaz, Muhammad
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| 1540 |
Exploring the role of hydrostatic pressure on the essential physical properties of Ti-based perovskite oxides for optoelectronic applications
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Malik, Naqash Hussain
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| 1541 |
Exploring the role of steric effect in the stability of clusters: Water hexamer as a test case
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Alipour, Mojtaba
|
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2014
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4 p.
|
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| 1542 |
Exploring the stereodynamics and microscopic mechanism of the O(3P)+CH4, CD4
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Martínez, Rodrigo
|
|
2015
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1-10 |
C |
p. 98-105
8 p.
|
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| 1543 |
Exploring the structural properties and the optoelectronic features of RbPbX3 (X
=
Cl, F) perovskite crystals for solar cells solicitations: Showcasing the DFT predictions.
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Alsalamah, Ibtihal M.
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| 1544 |
Exploring the thermodynamic stability and electronic structure of ZnNb₂O₆(001) surface through first-principles calculations
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Yang, Anqi
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| 1545 |
Exploring Ti-decorated boron phosphide monolayer with chemical modification for efficient hydrogen storage: a DFT and AIMD study
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| 1546 |
Exploring unimolecular dissociation kinetics of ethyl dibromide through electronic structure calculations
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Gulvi, Nitin R.
|
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2018
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1-10 |
C |
p. 55-63
|
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| 1547 |
Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection
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Daoud, Hazem
|
|
2018
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1-10 |
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p. 28-35
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| 1548 |
Extended coupled cluster for Raman and infrared spectra of small molecules
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Joshi, Sayali P.
|
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2012
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8 p.
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| 1549 |
Extended coupled cluster through nth perturbation order for molecular response properties: A comparative study
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Gupta, Jitendra
|
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2013
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p. 45-51
7 p.
|
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| 1550 |
Extending the functional form of the methane PES in redundant coordinates for highly excited vibrational energy levels calculation
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| 1551 |
Extension of in-gap electronic-state spectrum extraction method based on transient photo-voltage measurement
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Lin, Zedong
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| 1552 |
Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra
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Molteni, Elena
|
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2019
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1-10 |
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p. 92-100
|
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| 1553 |
Extracting dimer structures from simulations of organic-based materials using QM/MM methods
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Pérez-Jiménez, A.J.
|
|
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13 p.
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Extraction a formalism for fluids with non-spherical molecules based on the cluster expansion of the energy functional
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Extraction and DFT study on the complexation of the strontium cation with enniatin B
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Makrlík, Emanuel
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2014
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1-10 |
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p. 95-99
5 p.
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Extrusion of carbon with SON in heterocycles for enhanced static and dynamic hyperpolarizabilities and light harvesting efficiencies
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Fabrication and electrochemical investigations of nanostructured PtSn-NiTiO3 heterostructured electrocatalysts for direct methanol oxidation
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| 1558 |
Fabrication and enhanced performance of LEDs based on multilayer CdSe@ZnS quantum dot films using layer-by-layer spin-coating with solid-state treatment
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Fabrication and kinetic evaluation of dye adsorption capability of metal Oxide@RGO nanocomposites integrated cellulose triacetate membranes
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Fabrication and simulation of organic transistors and functional circuits
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Taylor, D. Martin
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p. 85-92
8 p.
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Fabrication, characterization of neutron and proton shielding investigation of tungsten oxide dispersed-ultra high Mw polyethylene
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Fabrication of Cr2S3-GO-TiO2 composite with high visible-light-driven photocatalytic activity on degradation of organic dyes
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Fabrication of manganese ferrite/graphene oxide nanocomposites for removal of nickel ions, methylene blue from water
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Fabrication, structural properties, and tunable light emission of Sm3+, Tb3+ co-doped SrSnO3 perovskite nanoparticles
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Facial synthesis of V-containing CuMgAl-LDHs as a new catalyst for the phenol hydroxylation
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Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
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Zhao, Peng
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8 p.
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Facile, inexpensive, and reliable morphological characterization of microplastics using Optical Microscopy images
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Facilely prepared, N, O-codoped nanosheet derived from pre-functionalized polymer as supercapacitor electrodes
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Facile photo-induced oxygen vacancy Bi2O2[BO2(OH)] hierarchical nanosheets and its enhanced visible light photodegradation of fluoroquinolones antibiotics
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Li, Xiaoxuan
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Facile room temperature synthesis of multifunctional CTAB coated gold nanoparticles
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Abdullah, Ameer
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2018
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p. 30-36
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Facile synthesis and green high-performance electromagnetic wave absorbing composite material based on biomass cotton and Ni @ nanoporous carbon
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Facile synthesis of branched MoS2 nanowires
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Jia, Yulong
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Facile synthesis of metal-organic framework UiO-66 for adsorptive removal of methylene blue from water
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Facile synthesis of molecularly-imprinted magnetic-MoS2 nanosheets for selective and sensitive detection of ametryn
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Facile synthesis of super-microporous mesoporous MgO-ZrO2 composites and their adsorption properties for CO2
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Facile synthesis of ultrafine WO3 nanoparticles for highly sensitive acetoin biomarker gas detection
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Facile synthesis of WO3 micro/nanostructures by paper-assisted calcination for visible-light-driven photocatalysis
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Zhao, Linyan
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2020
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p.
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| 1578 |
Facile synthesis of Z-scheme Bi2O3/Bi2WO6 composite for highly effective visible-light-driven photocatalytic degradation of nitrobenzene
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Hu, Wenna
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Facilistic preparation of zinc oxide nanoarrays on nickel foam via a one-step chemical bath method for photocatalysis
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Zhou, Juan
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Fast calculation of molecular total energy with ABEEMσπ/MM method – For some series of organic molecules and peptides
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Yang, Zhong-Zhi
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2016
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12 p.
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Fast solute diffusivity in ionic liquids with silyl or siloxane groups studied by the transient grating method
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Endo, Takatsugu
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2016
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p. 128-134
7 p.
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| 1582 |
Fate of protected HBT based chemodosimeters after undergoing deprotection: Restoration of ESIPT or generation of emissive phenoxide?
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Bhattacharyya, Arghyadeep
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2019
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p. 61-69
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Feature-rich electronic and magnetic properties in silicene monolayer induced by nitrogenation: A first-principles study
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| 1584 |
Features of current transients of photogenerated charge carriers, extracted by linearly increased voltage
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4 p.
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| 1585 |
Features of the temperature-frequency dependences of the electrophysical properties of vanillin alcohol as a model lignin compound
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Femtochemistry – some reflections and perspectives
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Henriksen, Niels E.
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7 p.
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Femtosecond laser-induced dissociation (fs-LID) as an activation method in mass spectrometry
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Neidel, Christian
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2018
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p. 106-112
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| 1588 |
Femtosecond transient absorption dynamics in low bandgap polymer solar cell materials including poly(thienylenevinylene) derivative and benzothiadiazole moiety
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Kim, In-Sik
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2015
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5 p.
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| 1589 |
FeO-Clinoptilolite nanoparticles: Brief characterization and its photocatalytic kinetics towards 2,4-dichloroaniline
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p.
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Ferroelectric behaviour in solid croconic acid using neutron scattering and first-principles density functional theory
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Mukhopadhyay, S.
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2013
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p. 95-100
6 p.
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| 1591 |
Ferromagnetic proximity effect on the thermodynamic properties of topological crystalline insulator SnTe (001) and related thin films
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Tien, Tong S.
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| 1592 |
Field-dependent spin chirality and frustration in V3 and Cu3 nanomagnets in transverse magnetic field. 1. Correlations between variable planar spin configurations, vector and scalar chiralities and magnetization
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Belinsky, Moisey I.
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2014
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p. 62-94
33 p.
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| 1593 |
Field-dependent spin chirality and frustration in
V
3
and
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Belinsky, Moisey I.
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2014
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p. 95-125
31 p.
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Field-free molecular orientation induced by a four-color laser pulse
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Zhou, Min
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p.
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| 1595 |
Field-free orientation dynamics of CO molecule by combining two-color shaped laser pulse with THz laser pulse train
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Dang, Hai-Ping
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2015
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p. 81-88
8 p.
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| 1596 |
Field-free orientation of 7LiH steered by a few-cycle nonlinearly chirped pulse
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Qin, Junfei
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| 1597 |
Finite element method for atoms
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Kochnev, Valentin K.
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Finite-temperature second-order many-body perturbation theory revisited
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Santra, Robin
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2017
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p. 355-361
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| 1599 |
First detection of the silylgermylene (H3SiGeH) and D4-silylgermylene (D3SiGeD) molecules in low temperature silane–germane ices
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Tomosada, Ada E.
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2012
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12 p.
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First-order corrections to semiclassical Gaussian partition functions for clusters of atoms
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Cartarius, Holger
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2012
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p. 135-141
7 p.
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First-order transitions in glasses and melts induced by solid superclusters nucleated and melted by homogeneous nucleation instead of surface melting
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Tournier, Robert F.
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2019
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C |
p. 40-54
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| 1602 |
First principle calculations including ab initio molecular dynamics studies for the activation of hydrogen fluoride on Ni(111)
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Mattsson, Stefan
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p.
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| 1603 |
First-principle calculations of lithium adsorption and diffusion on titanium-based monolayers
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Wang, Yilong
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p.
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| 1604 |
First-principle calculations to investigate structural, electronic, optical, elastic, and phonon properties of carbon-based IV compounds (Ge, Sn) with hybrids
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Tse, Geoffrey
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p.
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| 1605 |
First principle investigation of essential physical properties of stable Lead-free double perovskites Cs2AgAuX6 (X = cl, Br) for green energy applications
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Shakoor, Abdul
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p.
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artikel
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| 1606 |
First-principle investigation of the interactions between Pt
x
Ru55−
x
(x
=0, 13, 42, 55) nanoparticles and [BMIM][PF6] ionic liquid
|
Cheng, Ping
|
|
2015
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1-10 |
C |
p. 1-8
8 p.
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artikel
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| 1607 |
First principle investigation of the structural, optoelectronic, mechanical and thermoelectric performance of Nb-Ti co-doped ZrO2
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Jawad, Muhammad
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p.
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| 1608 |
First principle molecular dynamics of hydroxyl radical induced oxidation of guanine and 2′-deoxyguanosine 5′-monophosphate in a cluster of water molecules
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Lespade, Laure
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p.
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| 1609 |
First-principle quantum analysis of structural, electronic, optical, and mechanical properties of K3XH8 (X = Cr, Mn and Fe) hydrides for hydrogen storage system
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Ahmed, Bilal
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p.
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| 1610 |
First principles approach to ionicity of fragments
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Pilania, Ghanshyam
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2015
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1-10 |
C |
p. 26-33
|
artikel
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| 1611 |
First-principles approach to the first step of metal–phosphine bond formation to synthesize alloyed quantum dots using dissimilar metal precursors
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Nagakubo, Junki
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2020
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1-10 |
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p.
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| 1612 |
First-principles calculation of electronic, vibrational, and thermodynamic properties of 5-amino-3-hydrazinyl-1H-1,2,4-triazole-based energetic materials
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Zhang, Han-Ke
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p.
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| 1613 |
First-principles calculation of structural, electronic, and superconducting properties of PuH
x
, 6 ≤ x ≤ 10
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Yao, Yutong
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p.
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| 1614 |
First-principles calculation of the adhesion work, fracture toughness and tensile behavior of the Fe/MCs (M = Nb and Ta) interfaces by two different optimization methods
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Chen, Lu
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p.
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| 1615 |
First-principles calculation of the tunable electronic and optical properties of the BP/ZrS2 heterojunction
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Duan, Weiwei
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p.
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| 1616 |
First-principles calculations, into the stability, tensile strength, and physical properties of M2CuC (M = V, Cr, and Mo) as novel 211 MAX phase carbides
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Hachani, Ahmed
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p.
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| 1617 |
First-principles calculations of electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine [(DAG)2(DNAT)·H2O]
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Zhang, Han-Ke
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p.
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| 1618 |
First-principles calculations of mechanical, electronic and optical properties of a new imidooxonitridophosphate
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Debbichi, M.
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p.
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| 1619 |
First-principles calculations of molecular adsorption on the surface of two-dimensional BCOH
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Cai, Xing Hong
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p.
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| 1620 |
First-principles calculations of structural, electronic, and optical properties of double perovskites Cs2Sn1-
x
B
x
I6 (B = Si, Ge; x = 0, 0.25, 0.50, 0.75, 1)
|
Liu, Diwen
|
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p.
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artikel
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| 1621 |
First-principles calculations of the electronic, vibrational, and thermodynamic properties of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)
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Yuan, Wen-Shuo
|
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p.
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| 1622 |
First-principles calculations of the structural, electronic and optical properties of Cs2AgxNa1-xInBr6 double perovskites
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Li, Minghao
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p.
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| 1623 |
First-principles calculations study:The tunability and optical properties of the ZrS2/CdSe heterojunction
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Li, Dan
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p.
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| 1624 |
First-principles calculations to investigate effect of strain on magnetic and optical properties of Mn-adsorbed SnSe2 monolayer
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Xu, Bin
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p.
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artikel
|
| 1625 |
First-principles calculations to investigate electronic and optical properties of Ti
4
GaPbX
2
(X = C or N) two-dimensional materials
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Barhoumi, Mohamed
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p.
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|
| 1626 |
First-principles calculations to investigate electronic properties of ZnO/PtSSe van der Waals heterostructure: Effects of vertical strain and electric field
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Kartamyshev, A.I.
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p.
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| 1627 |
First-principles calculations to investigate impact of doping by chalcogen elements on the electronic, structural, and optical properties of SrTiO3 compounds
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Ou-khouya, A.
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p.
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|
| 1628 |
First-principles calculations to investigate optoelectronic of transition-metal half-Heusler alloys MTiSn (M = Pd and Pt) for optoelectronics applications
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Musa Saad H.-E., M.
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|
| 1629 |
First-principles calculations to investigate pressure effect on structural, mechanical, electronic and thermodynamic properties of NADFP·DMF
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Zhang, Xuan
|
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| 1630 |
First-Principles Calculations to Investigate Spin-Oriented Magnetic Phases, Band Gaps, Elastic, and Thermodynamic Calculations of VNi2O4
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Ak, Fermin
|
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p.
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|
| 1631 |
First-principles calculations to investigate static and dynamic stability, electronic, optical and thermoelectric of Zr2TiSi Heuslerene
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Vahabzadeh, Nosratali
|
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p.
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|
| 1632 |
First-principles calculations to investigate structural, elastic, electronic, and thermoelectric properties of monolayer and bulk beryllium chalcogenides
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Kumar, Pankaj
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| 1633 |
First-principles calculations to investigate structural, elastic, mechanical, electronic and optical characteristics of RbSrX3(X = Cl, Br)
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Ahmed, Muhammad
|
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|
| 1634 |
First-principles calculations to investigate structural, electronic and magnetic anisotropy energy of ZnFe
2
O
4
spinel ferrite for spintronics applications
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Alrashdi, Ayash O.
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| 1635 |
First-principles calculations to investigate Structural, electronic, and optical properties of MgF2 monolayer in 1T-phase and 2H-phase using hybrid functional
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Ngoc, Hoang Van
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|
| 1636 |
First-principles calculations to investigate structural, electronic and optical properties of ternary copper halides AlCumXn (A = K, Rb, Cs; X = Cl, Br, I)
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Huang, Jing
|
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| 1637 |
First-principles calculations to investigate structural, electronic, elastic and thermal properties of Mg doped Ti2Ni intermetallics
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Wang, Yuqi
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| 1638 |
First-principles calculations to investigate structural, electronic, optical and mechanical properties of Hafnium-based compounds
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Tse, Geoffrey
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|
| 1639 |
First-principles calculations to investigate structural, electronic, optical and thermoelectric properties of novel double perovskite Cs2CeAgX6 (X = Cl, Br) for optoelectronic and thermoelectric applications
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Manzoor, Mumtaz
|
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| 1640 |
First-principles calculations to investigate the electronic and optical properties of Cu2ZnSnS4 with Ag and Se codoping
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Liu, Diwen
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| 1641 |
First-principles calculation to investigate half metallic ferromagnetism and thermoelectric properties of Ca0.75Ti0.25X (X = S, Se) alloys
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| 1642 |
First principles details into the grafting of aryl radicals onto the free-standing and borophene/Ag(111) surfaces
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| 1643 |
First-Principles evaluation of Lead-Free X2NaIO6 (X=Sr, Ba) Double-Perovskite: For optoelectronic and solar cell applications
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Aziz, Asima
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| 1644 |
First principles insight into the structural, electronic, optical and thermodynamic properties of CsPb2Br5 compound
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| 1645 |
First-principles insights into metallic doping effects on yttrium twin grain boundary
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| 1646 |
First-principles insights into the structural, electronic, magnetic, thermodynamic and elastic properties of Sr2SnMnO6 double perovskite oxide
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Belbahi, Sawsen
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| 1647 |
First-Principles insights to probe structural and opto-electronic properties of
AgYF
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(Y=Mg, Sr) halide perovskites with variety of DFT methods
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Fatima, Rida
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| 1648 |
First-principles investigation of decomposition and adsorption properties of RDX on the surface of MgH2
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Rao, Guo-Ning
|
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2017
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|
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| 1649 |
First-principles investigation of electronic structure, optical, mechanical properties, and strain effects of double perovskite Cs2LiSbX6(X = Cl, Br, I)
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Gui, Zesheng
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| 1650 |
First-principles investigation of Sc and Ti-decorated hBN monolayers as adsorbents and gas sensors for SF6 decomposition products
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| 1651 |
First-principles investigation of structural, electronic, optical and thermoelectric performance of stable inorganic double perovskites A2AlAgBr6
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Jawad, Muhammad
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| 1652 |
First-principles investigation on electronic and photocatalytic behavior of GaSe1-xTex/MoS2 heterojunction
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Liu, Jianjun
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| 1653 |
First-principles investigation on Schottky barrier modification of graphene/CdSe heterojunction by the interlayer distance
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Yin, Jiangtao
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First-principles investigation on the mechanism of photocatalytic properties for cubic and orthorhombic KNbO3
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First principles investigations of small bimetallic PdGa clusters as catalysts for hydrogen dissociation
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First principles quantum analysis of essential physical properties of indium based stable delafossites XInO2 (X = Li, Rb) as an energy harvesting material
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First-principles simulation of a photoinduced carbocation formation
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First-principles simulations of transition state spectra of the I+HI and I+DI reactions and vibrational bonding in IMuI
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First principles studies of electronic, mechanical and optical properties of Cr-doped cubic ZrO2
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First-principles study of chalcogen-bonded self-assembly structures on silicene: Some insight into the fabrication of molecular architectures on surfaces through chalcogen bonding
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First principles study of coherent electron/spin transport across metallothionein: A cadmium-binding protein
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First-principles study of electronic, magnetic, optical, elastic, and thermoelectric properties of quaternary heusler alloys Co2MnSixGe1-x under dilution effect
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First-principles study of electronic properties of multilayer palgraphyne and BN palgraphyne-like sheets
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First-principles study of hydrazinium nitroformate and Copper(I) 5-nitrotetrazolate: Eco-friendly substitutes for ammonium dinitramide and lead azide
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First-principles study of MoSSe_graphene heterostructures as anode for Li-ion batteries
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First-principles study of oxygen-induced copper segregation in Cu3Au(111)
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First-principles study of physical properties of Zn1-xCdxTe, Zn1-xHgxTe, and Cd1-xHgxTe ternary alloys
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First principles study of structural, optoelectronic and photocatalytic properties of SnS, SnSe monolayers and their van der Waals heterostructure
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First-principles study of the chemical bonding and conduction behavior of LiFePO4
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First principles study of the effect of Cu/Ag/Au single doping and point defects on the magnetic and photocatalytic properties of ZnO
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First principles study of the effects of doping with sp elements (As, Sb, Bi) and pressure on the properties of half-Heusler AuMnSn
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First-principles study of the heavy metals adsorption on SnS2 and Janus monolayers
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First-principles study of the monolayer MoSeTe for gas sensing applications
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First-principles study of the monolayer SnSSe for gas sensing applications
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First-principles study of the physical properties of Ti2SnX (X: C, N) based 211-MAX phases
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First-principles study of the stability, mechanical, electronic and optical properties of Cd0.75Hg0.25Se
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First-Principles study of Ti-Based X2TiH5 (X = Mg, Ca, Sr) hydrides for Advanced hydrogen storage applications
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First-principles study of triaxial strain effect on structural, mechanical, electronic, optical, and photocatalytic properties of K2SeBr6 for solar hydrogen production
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First-principles study on crystal structure, mechanical thermodynamics, and electronic properties of perovskite energetic materials under high pressure
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First-principles study on novel LiB2 phases and superconductivity at ambient pressure
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First-principles study on the adsorption and diffusion properties of non-noble (Fe, Co, Ni and Cu) and noble (Ru, Rh, Pt and Pd) metal single atom on graphyne
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First-principles study on the adsorption properties of NH3 and NO2 on different layers of GeSe
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First-principles study on the hydrogen storage properties of MgH2(101) surface by CuNi co-doping
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First principles study on the oxygen reduction reaction of Ir@Pt core-shell structure
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First-principles study on the structure and optical spectroscopy of the redox-active center of blue copper proteins
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First-principle study of CO sensing properties on Pt-doped SnO2(110) surface with oxygen defect
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First principle study of enhanced CO adsorption on divacancy graphene-supported TM7 (TM = Fe, Co, Ni, Cu, Ag, and Au) clusters
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First principle study of sodium decorated graphyne
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First principle study of the electronic and catalytic properties of palladium-silver (PdAg) alloys catalyst for direct liquid fuel cells
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First-principle study on the magnetic and optical properties of SnO2 doped with Fe2+/3+ and oxygen vacancies at different ratios
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First-principle study on the magnetic and optical properties of TiO2 doped with different valence Fe
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First, second and third order NLO response of alkaline earth metals doped C6O6Li6 organometallic complexes
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Flexible Silicon Carbide Based Nano-generator Driven by Water Evaporation
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Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics
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Floquet–Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance spectra
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Fluctuational parameters based on the Bhatia–Thornton theory for supercritical solutions: Application to a supercritical aqueous solution of n-pentane
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Flue gas mercury removal using WS2-doped carbon nitride via physical mixing
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Fluorescence and physical properties of the organic salt 2-chloro-4-nitrobenzoate–3-ammonium-phenol
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Fluorescence cascades evoked by resonant interatomic Coulombic decay of inner-valence excited neon clusters
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Fluorescence correlation spectroscopy at high concentrations using gold bowtie nanoantennas
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Fluorescence excitation and excited state intramolecular relaxation dynamics of jet-cooled methyl-2-hydroxy-3-naphthoate
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Fluorescence excitation spectra, Raman spectra and structure of isochroman in its S1 (π, π∗) state
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Fluorescence spectroscopy in probing spontaneous and induced aggregation amongst size-selective gold nanoclusters
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Fluorescent detection of ascorbic acid using glutathione stabilized Au nanoclusters
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Fluoride-tuned synthesis of hematite micro-spheres coated with ultrafine particles for smart detection of acetone
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Folding–unfolding transition in the mini-protein villin headpiece (HP35): An equilibrium study using the Wang–Landau algorithm
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Force field refinement from NMR scalar couplings
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Force induced removal of an encapsulated semi-flexible polymer from single walled carbon nanotube
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Foreword
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Formation and annihilation of positronium in silica aerogels under atmosphere of oxygen and nitrogen mixture
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Formation of catalyst particles for the CNT growth from thin films: Experiment and simulation
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Formation of multiple helical structures induced by boron nitride nanotubes
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Formation of TiO2 hollow spheres through nanoscale Kirkendall effect and their lithium storage and photocatalytic properties
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Formation Onset of Flat-Perylene Prenucleation Clusters in Vacuum
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Formation rate of RbCs molecules via electro-association
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Formation reaction mechanisms of hydroxide anions from Mg(OH)2 layers
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Forming (NCCN)− by quantum scattering: A modeling for Titan’s atmosphere
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Formulation of temperature dependent effective Hartree potential incorporating quadratic over linear molecular DOFs-surface modes couplings and its effect on quantum dynamics of D2 (v = 0, j = 0)/D2 (v = 0, j = 2) on Cu(111) metal surface
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Forward-backward electron–proton asymmetry from a two-photon crossing of diabatic states of H
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Four-component relativistic calculations of electronic excitations in tris-(allyl)-iridium complex: Influence of spin-orbit coupling on the electronic structure and excitation spectrum
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Four-electron model for singlet and triplet excitation energy transfers with inclusion of coherence memory, inelastic tunneling and nuclear quantum effects
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Free←bound and bound←bound profiles in excitation spectra of the B31←X10+ transition in CdNg (Ng=noble gas) complexes
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Free energy of solubility of non-polar particles in water: The role of pressure
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Free energy reconstruction/decomposition from WHAM, force integration and free energy perturbation for an umbrella sampling simulation
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Friction coefficient between a hydrophobic soft solid surface and a fluid: Determined by QCM-D
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From biomass-derived wastes (bagasse, wheat straw and shavings) to activated carbon with three-dimensional connected architecture and porous structure for Li-ion batteries
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From natural biomaterials to environment-friendly and sustainable nonvolatile memory device
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From simple to complex and backwards. Chemical reactions under very high pressure
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From wide band gap semiconductor to visible light responsive material: The role of Li in K2PdO2
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FTIR and Raman spectra of CH(D)FClCF2
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FTIR-ATR study of the influence of the pyrimidine analog of fluphenazine on the chain-melting phase transition of sphingomyelin membranes
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Full-dimensional quantum dynamics of SO(X
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Fullerenes and endohedrals as “big atoms”
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Full molecular dynamics simulations of liquid water and carbon tetrachloride for two-dimensional Raman spectroscopy in the frequency domain
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Jo, Ju-Yeon
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Full
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Fully relativistic study of intermetallic dimers of group-1 elements K through element 119 and prediction of their adsorption on noble metal surfaces
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Functionalization of carbon nanotube by carboxyl group under radial deformation
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Functionalized single walled carbon nanotubes as template for water storage device
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Fundamental physical features of the rhombohedral structure of double perovskite compounds Ba2NbBO6 (B = As, Sb, and Bi)
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β-Galactoside-binding activity of human galectin-1 at basic pH
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Gas adsorption, energetics and electronic properties of boron- and nitrogen-doped bilayer graphenes
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Gaseous hetero dimers of perfluoro tert-butyl alcohol with hydrogenated alcohols by infrared spectroscopy and quantum DFT calculations
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Gas-liquid diffusion synthesis of different Ni(OH)2 nanostructures for their supercapacitive performance
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Gas-phase spectroscopy and anharmonic vibrational analysis of the 3-residue peptide Z-Pro-Leu-Gly-NH2 by the laser desorption supersonic jet technique
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Gas-phase water: Features of hydrogen bonding deduced from far-infrared VRT spectra proving the cluster formation in vacuum
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Gas sensing behavior of metal-phthalocyanines: Effects of electronic structure on sensitivity
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Gas-sensing properties of Pb, Pd modified C3N4 for SF6 decomposition products detection: A DFT study
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Gemini 14-s-14 micelle-catalyzed study between ninhydrin and valine reaction by different techniques (spectroscopic and conductometric)
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General formalism of vibronic Hamiltonians for tetrahedral and octahedral systems: Problems that involve A-type states and a-type vibrations
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Generalization of the Davydov Ansatz by squeezing
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Generalized B functions applied to atomic calculations
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Generalized complete orthonormal sets of Exponential-Type functions
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Generalized cubic equation of state and the radial distribution functions at contact for multi-component hard-sphere mixtures with large size ratio
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Generalized oscillator strengths for the ground state
[
2
p
6
3
s
]
2
S
of sodium atom embedded in a plasma medium
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Generalized potential for confined positronium atom immersed in plasmas
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p.
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General statistical-thermodynamical treatment of one-dimensional multicomponent molecular hetero-assembly in solution
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2013
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1-10 |
C |
p. 77-83
7 p.
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artikel
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| 1758 |
General trends in structure, stability and role of interactions in the complexes of acetone and thioacetone with carbon dioxide and water
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Dang Cam-Tu, Phan
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C |
p.
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artikel
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Generating symmetry-adapted bases for non-Abelian point groups to be used in vibronic coupling Hamiltonians
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Robertson, Christopher
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2015
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1-10 |
C |
p. 125-134
10 p.
|
artikel
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| 1760 |
Generations of even-order harmonics from vibrating H2
+ and T2
+ in the rising and falling parts of the laser field
|
Feng, Liqiang
|
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2018
|
1-10 |
C |
p. 47-54
|
artikel
|
| 1761 |
Geometrical criteria versus quantum chemical criteria for assessment of intramolecular hydrogen bond (IMHB) interaction: A computational comparison into the effect of chlorine substitution on IMHB of salicylic acid in its lowest energy ground state conformer
|
Paul, Bijan Kumar
|
|
2013
|
1-10 |
C |
p. 58-67
10 p.
|
artikel
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| 1762 |
Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations
|
Wang, Qi
|
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2013
|
1-10 |
C |
p. 38-47
10 p.
|
artikel
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| 1763 |
Geometric phase and quantum interference in photosynthetic reaction center: Regulation of electron transfer
|
Sun, Yuming
|
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2016
|
1-10 |
C |
p. 81-86
6 p.
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artikel
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| 1764 |
Germanium-isotope-driven distortion and disorder in clathrate framework
|
Wang, Zhengshang
|
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2019
|
1-10 |
C |
p. 47-51
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artikel
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| 1765 |
Gibbs equilibrium conditions and the thermodynamic limit
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Zabashta, Yuri F.
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1-10 |
C |
p.
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artikel
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| 1766 |
Glass formation and structure evolution in the rapidly solidified monatomic metallic liquid Pt under high pressure
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Lachtioui, Y.
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1-10 |
C |
p.
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artikel
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| 1767 |
Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces
|
Stähler, Julia
|
|
2017
|
1-10 |
C |
p. 149-165
|
artikel
|
| 1768 |
Global potential energy surface for the ground state of H2O− and dynamics studies of the O− + H2 → H + OH− reaction
|
Xu, Limei
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|
1-10 |
C |
p.
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artikel
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| 1769 |
Glutathione influence on the photoluminescence from semiconducting single-walled carbon nanotubes compared with other thiol compounds
|
Kurnosov, N.V.
|
|
|
1-10 |
C |
p. 218-224
|
artikel
|
| 1770 |
Glycerol, trehalose and glycerol–trehalose mixture effects on thermal stabilization of OCT
|
Barreca, D.
|
|
2013
|
1-10 |
C |
p. 100-104
5 p.
|
artikel
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| 1771 |
Gold cluster coatings enhancing Raman scattering from surfaces: Ink analysis and document identification
|
Luo, Zhixun
|
|
2013
|
1-10 |
C |
p. 73-78
6 p.
|
artikel
|
| 1772 |
Grain boundary energy in
<
11
2
-
0
>
/
φ
pure ice bicrystals samples
|
Di Prinzio, C.L.
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1773 |
Grain boundary heredity from Cu/Al solid–liquid interface via diffusion during the solidification processes
|
Zhang, Jinping
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1774 |
Graphene and graphite, low-temperature catalysts producing weakly-excited hydrogen molecules
|
Brenig, Wilhelm
|
|
2014
|
1-10 |
C |
p. 117-120
4 p.
|
artikel
|
| 1775 |
Graphene for reliable corrosion protection to magnesium alloy in the marine: A first-principles calculation
|
Ma, Liqiu
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1776 |
Graphene role in improved solar photocatalytic performance of TiO2-RGO nanocomposite
|
Garrafa-Gálvez, Horacio Edgardo
|
|
2019
|
1-10 |
C |
p. 35-43
|
artikel
|
| 1777 |
Graphical absrtract TOC cotinued
|
|
|
2018
|
1-10 |
C |
p. II
|
artikel
|
| 1778 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1779 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1780 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1781 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1782 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1783 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1784 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1785 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1786 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1787 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1788 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1789 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1790 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1791 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1792 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1793 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1794 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1795 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1796 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1797 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. II-IV
|
artikel
|
| 1798 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. OBC
|
artikel
|
| 1799 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1800 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1801 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1802 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1803 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1804 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1805 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1806 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1807 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1808 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1809 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1810 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1811 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1812 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1813 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1814 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1815 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1816 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1817 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1818 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1819 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1820 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. IBC
|
artikel
|
| 1821 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1822 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. IBC
|
artikel
|
| 1823 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. II
|
artikel
|
| 1824 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1825 |
Graphical abstract TOC
|
|
|
2018
|
1-10 |
C |
p. OBC
|
artikel
|
| 1826 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1827 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1828 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1829 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1830 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1831 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1832 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1833 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1834 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1835 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1836 |
Graphical abstract TOC
|
|
|
2020
|
1-10 |
C |
p.
|
artikel
|
| 1837 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1838 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p.
|
artikel
|
| 1839 |
Graphical abstract TOC
|
|
|
2020
|
1-10 |
C |
p.
|
artikel
|
| 1840 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1841 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1842 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1843 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1844 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. IBC
|
artikel
|
| 1845 |
Graphical abstract TOC
|
|
|
2019
|
1-10 |
C |
p. OBC
|
artikel
|
| 1846 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1847 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1848 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1849 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1850 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1851 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1852 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1853 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1854 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1855 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1856 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1857 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1858 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1859 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1860 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1861 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1862 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1863 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1864 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1865 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1866 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1867 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1868 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1869 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1870 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1871 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1872 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1873 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1874 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1875 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1876 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1877 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1878 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1879 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1880 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1881 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1882 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1883 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1884 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1885 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1886 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1887 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1888 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1889 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. IBC
|
artikel
|
| 1890 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1891 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1892 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. OBC
|
artikel
|
| 1893 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. IBC
|
artikel
|
| 1894 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. OBC
|
artikel
|
| 1895 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. OBC
|
artikel
|
| 1896 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. IBC
|
artikel
|
| 1897 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1898 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1899 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. IBC
|
artikel
|
| 1900 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p. OBC
|
artikel
|
| 1901 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1902 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1903 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1904 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
|
| 1905 |
Graphical abstract TOC
|
|
|
|
1-10 |
C |
p.
|
artikel
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| 1977 |
Graphical abstract TOC Continued
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| 1978 |
Graphical abstract TOC continued
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2018
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p. III-IV
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artikel
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| 1979 |
Graphical abstract TOC Continued
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2018
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p. I-II
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| 1980 |
Graphical abstract TOC continued
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2018
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| 1981 |
Graphical abstract TOC continued
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| 1982 |
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Graphical abstract TOC continued
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Graphical abstract TOC continued
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| 1986 |
Graphical representation methods: How well do they discriminate between homologous gene sequences?
|
Sen, Dwaipayan
|
|
|
1-10 |
C |
p. 156-164
|
artikel
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| 1987 |
Graphyne–graphene (nitride) heterostructure as nanocapacitor
|
Bhattacharya, Barnali
|
|
2016
|
1-10 |
C |
p. 73-80
8 p.
|
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| 1988 |
Green microemulsion systems with choline-based SAILs: Formulation and piperine delivery
|
Batool, Ayesha
|
|
|
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C |
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| 1989 |
Green’s functions for spin boson systems: Beyond conventional perturbation theories
|
Liu, Junjie
|
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2016
|
1-10 |
C |
p. 42-53
12 p.
|
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| 1990 |
Ground and excited state geometries via Mukherjee’s multireference coupled-cluster method
|
Jagau, Thomas-C.
|
|
2012
|
1-10 |
C |
p. 73-87
15 p.
|
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| 1991 |
Ground and excited states of BF3
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|
Grein, Friedrich
|
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2013
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1-10 |
C |
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6 p.
|
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| 1992 |
Ground state analysis of magnetic nanographene molecules with modified edge
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Gorjizadeh, Narjes
|
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2013
|
1-10 |
C |
p. 64-68
5 p.
|
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| 1993 |
Ground state properties of the screened helium atom under harmonic confinement
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Martínez-Flores, César
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C |
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| 1994 |
Group 6 (Cr, Mo, W) and Group 7 (Mn, Re) bipyridyl tetracarbonyl complex for electrochemical CO2 conversion: DFT and DLPNO-CCSD(T) study for effects of the central metal on redox potential, thermodynamics, and kinetics
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Isegawa, Miho
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| 1995 |
Growth of gold nanoclusters and nanocrystals induced by lysozyme protein in thin film conformation
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Bhowal, Ashim Chandra
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2016
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1-10 |
C |
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6 p.
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| 1996 |
Guest-induced structural phase transformations of the multicomponent network at liquid/solid interfaces
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Peng, Xuan
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| 1997 |
Hadamard-encoded high-resolution NMR spectroscopy via intermolecular single-quantum coherences
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Ke, Hanping
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1-10 |
C |
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5 p.
|
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| 1998 |
1H and 133Cs nuclear magnetic resonance study of the NH4 and Cs occupation rates of mixed (NH4)2−
x
Cs
x
ZnCl4 (x
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|
Lim, Ae Ran
|
|
2012
|
1-10 |
C |
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5 p.
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| 1999 |
1H and 17O NMR study of H-bond dynamics in picolinic acid N-oxide solutions in acetonitrile-h
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Maršalka, Arūnas
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1-10 |
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| 2000 |
H+CH4
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Ellerbrock, Roman
|
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2017
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1-10 |
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