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Elsevier电子期刊(73)
ACS电子期刊(121)
在“
Elsevier电子期刊
”中,
命中:
73
条,耗时:0.0819603 秒
在所有数据库中总计命中:
235
条
1.
Explicitly-correlated ring-coupled-cluster-doubles
theory
: Including exchange for computations on closed-shell systems
作者:
Anna-Sophia Hehn
;
Christof Holzer
;
Wim Klopper
;
klopper@kit.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Slater-type geminals
;
Coupled-cluster
theory
;
Ring diagrams
;
Exchange diagrams
;
Random-phase approximation
;
Symmetry
-
adapted
perturbation
theory
;
Dispersion interaction
刊名:Chemical Physics
出版年:2016
2.
General van der Waals potential for common organic molecules
作者:
Rui Qi
a
;
&dagger
;
;
Qiantao Wang
b
;
&dagger
;
;
Pengyu Ren
a
;
pren@mail.utexas.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Van der Waals
;
SAPT
;
Energy decomposition
;
Force field
刊名:Bioorganic & Medicinal Chemistry
出版年:2016
3.
Symmetry
-
Adapted
Perturbation
Theory
study on interactions between small cycloalkanes
作者:
Jarosław J. Panek
jaroslaw.panek@chem.uni.wroc.pl" class="auth_mail" title="E-mail the corresponding author
刊名:Chemical Physics Letters
出版年:2015
4.
The nature of the I鈰疘 interactions and a comparative study with the nature of the 蟺鈰€ interactions
作者:
Weizhou Wang
;
Yan Zhao
;
Yu Zhang
;
Yi-bo Wang
关键词:
I鈰疘 interactions
;
蟺鈰€ interactions
;
CCSD(T)/CBS
;
SAPT
;
New computational methods
刊名:Computational and Theoretical Chemistry
出版年:15 February, 2014
5.
Phenylacetylene dimer: Ab initio and DFT study
作者:
G. Naresh Patwari
a
;
P. Venuvanalingam
b
;
Maciej Ko?aski
c
;
kolaski@ich.us.edu.pl
关键词:
¦Ð&ndash
;
¦Ð and H&ndash
;
¦Ð interactions
;
Binding energy
;
Symmetry
adapted
perturbation
theory
;
CCSD(T)/CBS binding energies
;
Dispersion energy
刊名:Chemical Physics
出版年:2013
6.
Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and
symmetry
adapted
perturbation
theory
calculations
作者:
Elvira R. Sayfutyarova
a
;
Alexei A. Buchachenko
a
;
alexei@classic.chem.msu.su
;
alexei.buchachenko@gmail.com
;
Michal Hapka
b
;
Ma?gorzata M. Szcz??niak
c
;
Grzegorz Cha?asi¨½ski
b
关键词:
Intermolecular interactions
;
van der Waals complexes
;
Long-range expansion
;
Rovibrational energy levels
;
Thorium oxide
刊名:Chemical Physics
出版年:2012
7.
Modeling intermolecular potential of He-F
2
dimer from
symmetry
-
adapted
perturbation
theory
using multi-gene genetic programming
作者:
M. Amiri
;
M. Eftekhari
;
M. Dehestani
;
A. Tajaddini
关键词:
Potential energy
;
SAPT
;
MGGP
;
Lennard-Jones potential
刊名:Scientia Iranica
出版年:2013
8.
Symmetry
-
adapted
perturbation
theory
interaction energy decomposition for H
2
CY-XF (Y = O, S, Se; X = H, Li, Cl) complex
作者:
Qingfu Ban
;
Ran Li
;
Qingzhong Li
;
liqingzhong1990@sina.com
;
Wenzuo Li
;
Jianbo Cheng
关键词:
Hydrogen bond
;
Lithium bond
;
Chloride bond
;
SAPT
;
AIM
刊名:Computational and Theoretical Chemistry
出版年:2012
9.
Physisorption of helium on a TiO
2
(110) surface: Periodic and finite cluster approaches
作者:
Marí
;
a Pilar de Lara-Castells
a
;
Pilar.deLara.Castells@csic.es
;
Né
;
stor F. Aguirre
a
;
Alexander O. Mitrushchenkov
b
关键词:
Helium
;
Metal oxide surfaces
;
Rutile TiO2(110) surface
;
Finite cluster approach
;
Wave-function-based correlated methods
;
Physisorption
;
Wannier orbitals
;
Embedding
;
Periodic density functional calculations
;
Many-body
symmetry
-
adapted
perturbation
theory
刊名:Chemical Physics
出版年:2012
10.
Structures of protonated benzene dimer and intermolecular interaction decomposition via
symmetry
-
adapted
perturbation
theory
作者:
Heather M.
;
Jaeger
a
;
;
hjaeger@z.rochester.edu
;
Henry F.
;
Schaefer
a
;
Edward G.
;
Hohenstein
b
;
C.
;
David Sherrill
b
关键词:
Benzenium
;
Protonated benzene
;
Benzene dimer
;
SAPT
;
Intermolecular interactions
刊名:Computational and Theoretical Chemistry
出版年:2011
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