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在“
Elsevier电子期刊
”中,
命中:
12,556
条,耗时:0.1679218 秒
在所有数据库中总计命中:
21,439
条
1.
Microstructures, interact
ion
s and
dynamics
properties studies of aqueous guanidinium triflate
ion
ic liquid from molecular
dynamics
simulat
ion
s
作者:
Naimah Haron
a
;
naimaharon@gmail.com
;
Vannajan S. Lee
a
;
Nor A. Sairi
a
;
Sharifuddin M. Zain
a
;
Yatimah Alias
a
;
Mohamed K. Aroua
b
关键词:
Molecular
dynamics
;
Guanidinium
;
Ion
ic liquid
;
Water
;
Microscopic physical properties
刊名:Journal of Molecular Liquids
出版年:2017
2.
A network approach to unravel correlated
ion
pair
dynamics
in protic
ion
ic liquids. The case of triethylammonium nitrate
作者:
Tobias Zentel
tobias.zentel@uni-rostock.de
;
Oliver Kü
;
hn
;
oliver.kuehn@uni-rostock.de
关键词:
Ion
ic liquids
;
Hydrogen bonds
;
DFTB
;
Molecular
dynamics
;
Networks
刊名:Journal of Molecular Liquids
出版年:2017
3.
Dynamics
of the EAG1 K
+
channel selectivity filter assessed by molecular
dynamics
simulat
ion
s
作者:
Harald Bernsteiner
1
;
Michael Brü
;
ndl
1
;
Anna Stary-Weinzinger
;
anna.stary@univie.ac.at
关键词:
Molecular
dynamics
simulat
ion
;
KCNH1 channel
;
Ion
binding sites
;
Y464A mutant
;
Na+ binding sites
;
C-type inactivat
ion
刊名:Biochemical and Biophysical Research Communicat
ion
s
出版年:2017
4.
Copper
dynamics
and structural-transformat
ion
in noble metal chalcogenides CuAgS probed by
63
Cu NMR
作者:
Chenglong Shi
;
xi@iphy.ac.cn
;
Xuekui Xi
;
Zhipeng Hou
;
Enke Liu
;
Wenhong Wang
;
Jinglan Chen
;
Guangheng Wu
关键词:
Ion
dynamics
;
NMR
;
Metal chalcogenide
;
Electron-crystal phonon liquid materials
刊名:Solid State
Ion
ics
出版年:2017
5.
Solar wind
ion
impacts into ice surfaces: A molecular-
dynamics
study using the REAX force field
作者:
Christian Anders
;
Herbert M. Urbassek
;
urbassek@rhrk.uni-kl.de" class="auth_mail" title="E-mail the corresponding author
;
关键词:
Sputtering
;
Molecular
dynamics
;
Ice
;
Reactive chemistry
;
Surface
;
Solar wind exposure
刊名:Icarus
出版年:2017
6.
Simulat
ion
s of cratering and sputtering from an
ion
track in crystalline and amorphous Lennard Jones thin films
作者:
L.I. Gutierres
a
;
N.W. Lima
a
;
R.S. Thomaz
a
;
R.M. Papalé
;
o
a
;
E.M. Bringa
b
关键词:
Molecular
dynamics
simulat
ion
s
;
Swift heavy
ion
s
;
Craters
;
Polymers
刊名:Computat
ion
al Materials Science
出版年:2017
7.
Li-
ion
dynamics
and state of charge estimat
ion
作者:
Mingheng Li
minghengli@cpp.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Li-
ion
;
State of Charge
;
Electrochemical impedance spectroscopy
;
Extended Kalman filtering
;
Joint state and parameter estimat
ion
刊名:Renewable Energy
出版年:2017
8.
Theoretical calculat
ion
of the physico-chemical properties of 1-butyl-4-methylpyridinium based
ion
ic liquids
作者:
Artur Giełdoń
a
;
b
;
Maciej Bobrowski
b
;
Aleksandra Bielicka-Giełdoń
a
;
Cezary Czaplewski
a
;
b
;
cezary.czaplewski@ug.edu.pl
关键词:
Molecular
dynamics
;
Ion
ic liquids
;
1-Butyl-4-methylpyridinium
;
([b4mpy][BF4])
;
([b4mpy][Cl])
;
Charge distribut
ion
;
Density calculat
ion
;
Melting point calculat
ion
刊名:Journal of Molecular Liquids
出版年:2017
9.
Dielectric relaxat
ion
of nitromethane and its mixtures with ethylammonium nitrate: Evidence for strong
ion
associat
ion
induced by hydrogen bonding
作者:
Andreas Nazet
;
Lisa Weiß
;
Richard Buchner
;
Richard.Buchner@chemie.uni-regensburg.de
关键词:
Dielectric relaxat
ion
;
Dipolar liquids
;
Protic
ion
ic liquids
;
Ion
solvat
ion
;
Hydrogen bonding
;
Ion
associat
ion
刊名:Journal of Molecular Liquids
出版年:2017
10.
Evolut
ion
of small defect clusters in
ion
-irradiated 3C-SiC: Combined cluster
dynamics
modeling and experimental study
作者:
C. Liu
a
;
L. He
b
;
Y. Zhai
b
;
B. Tyburska-Pü
;
schel
a
;
P.M. Voyles
b
;
K. Sridharan
a
;
D. Morgan
a
;
b
;
I. Szlufarska
a
;
b
;
szlufarska@wisc.edu
关键词:
Silicon carbide
;
Black spot defects
;
Cluster
dynamics
;
STEM
;
TEM
;
Size distribut
ion
刊名:Acta Materialia
出版年:2017
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