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Elsevier电子期刊(834)
在“
Elsevier电子期刊
”中,
命中:
834
条,耗时:0.0289863 秒
在所有数据库中总计命中:
2,047
条
1.
Molecular structures and
intramolecular
dynamics
of pentahalides
作者:
A.A. Ischenko
aischenko@yasenevo.ru
关键词:
Pentahalides
;
Fluxional molecules
;
Jahn-Teller effect
;
Pseudo-Jahn-Teller effect
;
gas electron diffraction
;
Spectroscopy
;
Quantum chemistry
;
Intramolecular
dynamics
;
Structural instability
刊名:Journal of Molecular Structure
出版年:2017
2.
Electron diffraction analysis for the molecules with degenerate large amplitude motions:
Intramolecular
dynamics
in arsenic pentafluoride
作者:
Igor V. Kochikov
a
;
Dmitry M. Kovtun
a
;
b
;
Yury I. Tarasov
b
;
tarasov@phys.chem.msu.ru
关键词:
Molecular structure and
dynamics
;
Pseudorotation
;
Equilibrium molecular structure
;
LAM
;
Arsenic pentafluoride
;
Electron diffraction
;
Quantum chemistry
;
CCSD(T)
刊名:Journal of Molecular Structure
出版年:2017
3.
Atomistic details of protein
dynamics
and the role of hydration water
作者:
Sheila Khodadadi
a
;
b
;
Alexei P. Sokolov
c
;
sokolov@utk.edu
关键词:
Protein
dynamics
;
Hydration water
;
Energy landscape
;
Neutron scattering
;
Dielectric spectroscopy
;
MD simulation
刊名:Biochimica et Biophysica Acta (BBA) - General Subjects
出版年:2017
4.
Mutual A domain interactions in the force sensing protein von Willebrand factor
作者:
Sandra Posch
a
;
Camilo Aponte-Santamarí
;
a
b
;
Richard Schwarzl
c
;
Andreas Karner
d
;
Matthias Radtke
c
;
Frauke Grä
;
ter
b
;
Tobias Obser
e
;
Gesa Kö
;
nig
e
;
Maria A. Brehm
e
;
Hermann J. Gruber
a
;
Roland R. Netz
c
;
Carsten Baldauf
f
;
Reinhard Schneppenheim
e
;
Robert Tampé
;
g
;
Peter Hinterdorfer
a
;
d
;
peter.hinterdorfer@jku.at
关键词:
Atomic force microscopy
;
Single molecule force spectroscopy
;
Molecular
dynamics
simulation
;
Brownian
dynamics
simulation
;
von Willebrand factor
;
Primary hemostasis
刊名:Journal of Structural Biology
出版年:2017
5.
Proton transfer
dynamics
in a polar nanodroplet: ESIPT of 4'-n,n-dimethylamino-3-hydroxyflavone in AOT/alkane/water reverse micelles
作者:
Deborin Ghosh
a
;
Shaikh Batuta
b
;
Naznin Ara Begum
b
;
Debabrata Mandal
a
;
dmandal.chemistry@gmail.com
刊名:Journal of Luminescence
出版年:2017
6.
Principals of simulation of ultrafast charge transfer in solution within the multichannel stochastic point-transition model
作者:
Alexey E. Nazarov
;
Roman G. Fedunov
;
Anatoly I. Ivanov
;
Anatoly.Ivanov@volsu.ru
关键词:
Brownian trajectory
;
Surface hopping
;
Vibrational manifold
刊名:Computer Physics Communications
出版年:2017
7.
A dual nitrite isotopic investigation of chemodenitrification by mineral-associated Fe(II) and its production of nitrous oxide
作者:
Kalina C. Grabb
a
;
b
;
Carolyn Buchwald
a
;
Colleen M. Hansel
a
;
Scott D. Wankel
a
;
sdwankel@whoi.edu
关键词:
Chemodenitrification
;
Nitrite
;
Nitrous oxide
;
Site preference
;
Nitrogen isotopes
;
Oxygen isotopes
刊名:Geochimica et Cosmochimica Acta
出版年:2017
8.
Lipid Regulated
Intramolecular
Conformational
Dynamics
of SNARE-Protein Ykt6
刊名:Biophysical Journal
出版年:2017
9.
Synthesis, characterization and molecular modelling of a novel dipyridamole supramolecule - X-ray structure, quantum mechanics and molecular
dynamics
study to comprehend the hydrogen bond structure-activity relationship
作者:
Suresh B. Vepuri
a
;
H.C. Devarajegowda
b
;
Mahmoud E. Soliman
a
;
soliman@ukzn.ac.za" class="auth_mail" title="E-mail the corresponding author
关键词:
Dipyridamole
;
Dipyridamole hydrochloride trihydrate
;
Crystal structure
;
Intramolecular
hydrogen bond
;
Quantum mechanics and molecular
dynamics
刊名:Journal of Molecular Structure
出版年:2016
10.
Full molecular
dynamics
simulations of liquid water and carbon tetrachloride for two-dimensional Raman spectroscopy in the frequency domain
作者:
Ju-Yeon Jo
ju8879@kuchem.kyoto-u.ac.jp
;
Hironobu Ito
h.ito@kuchem.kyoto-u.ac.jp
;
Yoshitaka Tanimura
;
tanimura@kuchem.kyoto-u.ac.jp
关键词:
2D Raman spectroscopy
;
Molecular
dynamics
simulation
刊名:Chemical Physics
出版年:2016
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