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CNKI期刊论文0611(3)
在“
Elsevier电子期刊
”中,
命中:
5,088
条,耗时:0.0469778 秒
在所有数据库中总计命中:
4,131
条
1.
The Bi
3+
6s and 6p electron
binding
energies
in relation to the chemical environment of inorganic compounds
作者:
Roy H.P. Awater
;
R.H.P.Awater@tudelft.nl
;
Pieter Dorenbos
关键词:
Bi3+
;
Chemical shift
;
Metal-to-metal charge transfer
;
Electronic structure
;
Electron
binding
energies
刊名:Journal of Luminescence
出版年:2017
2.
Electron
binding
energies
and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water
作者:
Benedito J.C. Cabral
ben@cii.fc.ul.pt
关键词:
Born-Oppenheimer molecular dynamics
;
Electron propagator theory
;
Electron
binding
energies
;
Fundamental gap
;
Push-pull dyes
;
p-nitroaniline
刊名:Chemical Physics Letters
出版年:2017
3.
Atomistic tight-
binding
theory of excitonic splitting
energies
in CdX(X = Se, S and Te)/ZnS core/shell nanocrystals
作者:
Worasak Sukkabot
a
;
w.sukkabot@gmail.com
;
Udomsilp Pinsook
b
关键词:
Tight-
binding
theory
;
Excitonic splitting
;
Electron-hole exchange interaction
;
Core/shell nanocrystals
刊名:Superlattices and Microstructures
出版年:2017
4.
Core-level spectra and
binding
energies
of transition metal nitrides by non-destructive x-ray photoelectron spectroscopy through capping layers
作者:
G. Greczynski
a
;
grzgr@ifm.liu.se
;
D. Primetzhofer
b
;
J. Lu
a
;
L. Hultman
a
关键词:
TiN
;
XPS
;
Magnetron sputtering
;
Binding
energy
;
VN
;
CrN
;
NbN
;
ZrN
;
MoN
;
HfN
;
TaN
;
WN
;
AlN
;
SiN
刊名:Applied Surface Science
出版年:2017
5.
The hydrostatic pressure and temperature effects on hydrogenic impurity
binding
energies
in lattice matched InP/In
0.53
Ga
0.47
As/InP square quantum well
作者:
P. Başer
a
;
pbaser@cumhuriyet.edu.tr
;
S. Elagoz
b
关键词:
Donor impurity
binding
energy
;
Quantum-well
;
Hydrostatic pressure
;
Temperature effect
刊名:Superlattices and Microstructures
出版年:2017
6.
Computing the
binding
affinity of a ligand buried deep inside a protein with the hybrid steered molecular dynamics
作者:
Oscar D. Villarreal
a
;
1
;
Lili Yu
a
;
b
;
1
;
Roberto A. Rodriguez
a
;
Liao Y. Chen
a
;
Liao.Chen@utsa.edu
关键词:
Binding
affinity
;
Retinol-
binding
protein
;
Ligand-protein interaction
;
T4-lysozyme mutants
;
Molecular dynamics
刊名:Biochemical and Biophysical Research Communications
出版年:2017
7.
Energetics of cobalt alloys and compounds and solute-vacancy
binding
in fcc cobalt: A first-principles database
作者:
S. Shahab Naghavi
;
Vinay I. Hegde
;
Abhinav Saboo
;
C. Wolverton
;
c-wolverton@northwestern.edu
关键词:
First-principles calculations
;
Solute-vacancy
binding
;
Cobalt-based superalloys
刊名:Acta Materialia
出版年:2017
8.
Stokes shift and fine structure splitting in composition-tunable Zn
x
Cd
1−x
Se nanocrystals: Atomistic tight-
binding
theory
作者:
Worasak Sukkabot
w.sukkabot@gmail.com
关键词:
Tight-
binding
theory
;
ZnxCd1&minus
;
xSe
;
Alloy
;
Nanocrystals
;
Stokes shift
;
Fine structure splitting
刊名:Physica B: Condensed Matter
出版年:2017
9.
Binding
modes of phosphonic acid derivatives adsorbed on TiO
2
surfaces: Assignments of experimental IR and NMR spectra based on DFT/PBC calculations
作者:
D. Geldof
a
;
b
;
M. Tassi
b
;
R. Carleer
b
;
P. Adriaensens
b
;
A. Roevens
c
;
V. Meynen
c
;
F. Blockhuys
a
;
关键词:
Density functional theory
;
Titanium dioxide
;
Phosphonic acid
;
Binding
mode
;
NMR spectra
;
IR spectra
刊名:Surface Science
出版年:2017
10.
Alchemical determination of drug-receptor
binding
free energy: Where we stand and where we could move to
作者:
Piero Procacci
procacci@unifi.it
关键词:
Binding
free energy
;
Alchemical simulations
;
Solute tempering
;
Hamiltonian Replica Exchange
;
Jarzynski theorem
;
Crooks theorem
;
Drug-receptor
;
Molecular dynamics
;
Nonequilibrium process
刊名:Journal of Molecular Graphics and Modelling
出版年:2017
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