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Volume 395; Issue none
Main
Chemical Physics
Volume 395; Issue none
Chemical Physics
Volume 395; Issue none
1
Fully relativistic study of intermetallic dimers of group-1 elements K through element 119 and prediction of their adsorption on noble metal surfaces
V. Pershina
,
A. Borschevsky
,
J. Anton
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 610 KB
Your tags:
english, 2012
2
Study of the picture change error at the 2nd order Douglas Kroll Hess level of theory. Electron and spin density and structure factors of the Bis[bis(methoxycarbimido) aminato] copper (II) complex
Lukáš Bučinský
,
Stanislav Biskupič
,
Dylan Jayatilaka
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1004 KB
Your tags:
english, 2012
3
Theoretical modelling of the adsorption of thallium and element 113 atoms on gold using two-component density functional methods with effective core potentials
Brigitte S. Fox-Beyer
,
Christoph van Wüllen
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 626 KB
Your tags:
english, 2012
4
Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods
Inkoo Kim
,
Young Choon Park
,
Hyungjun Kim
,
Yoon Sup Lee
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 314 KB
Your tags:
english, 2012
5
Calculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method
Rob Klooster
,
Ria Broer
,
Michael Filatov
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 369 KB
Your tags:
english, 2012
6
Precision of calculated static polarizabilities: Ga, In and Tl atoms
Anastasia Borschevsky
,
Tamar Zelovich
,
Ephraim Eliav
,
Uzi Kaldor
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 177 KB
Your tags:
english, 2012
7
Solved and unsolved problems in relativistic quantum chemistry
Werner Kutzelnigg
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 587 KB
Your tags:
english, 2012
8
Spin–orbit coupling effect on Au–C60 interaction: A density functional theory study
Qun Zeng
,
Xiang Chu
,
Mingli Yang
,
De-Yin Wu
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 662 KB
Your tags:
english, 2012
9
Application of magnetically-perturbed time-dependent density functional theory to magnetic circular dichroism. IV. The influence of zero-field splitting on the spectra of S > 1/2 molecules
Michael Seth
,
Tom Ziegler
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 719 KB
Your tags:
english, 2012
10
Range-separated density functional theory: A 4-component relativistic study of the rare gas dimers He2, Ne2, Ar2, Kr2, Xe2, Rn2 and Uuo2
Ossama Kullie
,
Trond Saue
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 624 KB
Your tags:
english, 2012
11
Invited review: Relativistic wave-function based electron correlation methods
Timo Fleig
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 394 KB
Your tags:
english, 2012
12
A question of balance: Kinetic balance for electrons and positrons
Kenneth G. Dyall
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 237 KB
Your tags:
english, 2012
13
Investigation of reaction mechanisms of NO with CO on Pd1/MgO and Pd4/MgO catalysts
Zhenfen Yin
,
Chaoqun Li
,
Yanwei Su
,
Yongfei Liu
,
Yan Wang
,
Guangju Chen
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 769 KB
Your tags:
english, 2012
14
NMR espectroscopic parameters of HX and Si (Sn)X4 (X = H, F, Cl, Br and I) and SnBr4−nIn model compounds
Alejandro F. Maldonado
,
Carlos A. Gimenez
,
Gustavo A. Aucar
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 431 KB
Your tags:
english, 2012
15
Special issue of Chemical Physics on recent advances and applications of relativistic quantum chemistry
Wenjian Liu
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 120 KB
Your tags:
english, 2012
16
IFC (Editorial Board)
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 31 KB
Your tags:
english, 2012
17
Contents
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 25 KB
Your tags:
english, 2012
18
Subject Index
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 131 KB
Your tags:
english, 2012
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