Highlights in Theoretical Chemistry - Guosen Yan
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Published By Springer Berlin Heidelberg

9783662478448, 9783662478455
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

A tribute to Guosen Yan

2015 ◽  
pp. 1-6
Author(s):  
Hua Guo ◽  
Daiqian Xie ◽  
Weitao Yang

Iron carbonyl thioboronyls: effect of substitution of sulfur for oxygen in the viability of binuclear complexes toward dissociation reactions

2014 ◽  
pp. 201-209
Author(s):  
Xiaoli Gong ◽  
Liyao Zhu ◽  
Jing Yang ◽  
Xiumin Gao ◽  
Yaoming Xie ◽  
...  
Keyword(s):  
Iron Carbonyl ◽  
Binuclear Complexes

How the molecular face and the interaction vary as H atom approach H2 molecule

2014 ◽  
pp. 99-110
Author(s):  
Dong-Xia Zhao ◽  
Zhong-Zhi Yang
Keyword(s):  
H2 Molecule

Testing exchange – correlation functionals at fractional electron numbers

2014 ◽  
pp. 21-27
Author(s):  
Ali Malek ◽  
Degao Peng ◽  
Weitao Yang ◽  
Robert Balawender ◽  
Andrzej Holas
Keyword(s):  
Exchange Correlation

Microwave and infrared spectra of CO–(pH2)2, CO–(oD2)2, and mixed CO–pH2–He trimers

2014 ◽  
pp. 135-147
Author(s):  
Xiao-Long Zhang ◽  
Hui Li ◽  
Robert J. Le Roy ◽  
Pierre-Nicholas Roy
Keyword(s):  
Infrared Spectra

Theoretical study on the working mechanism of a reversible light-driven rotary molecular motor

2014 ◽  
pp. 59-66
Author(s):  
Lili Wang ◽  
Xin Che ◽  
Huiliang Li ◽  
Jun Gao ◽  
Chengbu Liu
Keyword(s):  
Theoretical Study ◽  
Molecular Motor ◽  
Working Mechanism

Numerical solution of solvent reorganization energy and its application in electron transfer reaction

2014 ◽  
pp. 149-154
Author(s):  
Ting-Jun Bi ◽  
Mei-Jun Ming ◽  
Hai-Sheng Ren ◽  
Jian-Yi Ma ◽  
Xiang-Yuan Li
Keyword(s):  
Electron Transfer ◽  
Numerical Solution ◽  
Transfer Reaction ◽  
Reorganization Energy ◽  
Electron Transfer Reaction ◽  
Solvent Reorganization Energy
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