Theoretical study on collision dynamics of H+ + H2O at low energies

2017 ◽  
Vol 116 (2) ◽  
pp. 231-241 ◽  
Author(s):  
Rui-Ting Zhao ◽  
Nan Zhang ◽  
Feng-Shou Zhang
2014 ◽  
Vol 140 (5) ◽  
pp. 054308 ◽  
Author(s):  
Cong-Zhang Gao ◽  
Jing Wang ◽  
Feng Wang ◽  
Feng-Shou Zhang

2013 ◽  
Vol 27 (30) ◽  
pp. 1350225
Author(s):  
QIANG ZHAO ◽  
FENG-SHOU ZHANG ◽  
HONG-YU ZHOU

In this paper, a semi-empirical molecular dynamics model is developed. The central collisions of C 60 + C 60 and X@C 60 + X@C 60 ( X = He , Ne , Ar ) at various incident energy are investigated within this model. The fullerene dimers like a "dumbbell" can be formed by a self-assembly of C 60 fullerene and X@C 60 ( X = He , Ne ) endohedral fullerenes, and the new fullerene structure like "peanut" can be formed by a self-assembly of Ar@C 60. It is found that Ar atom plays a great role in the collision of Ar@C 60 + Ar@C 60 because of its size effect. The energy effect is found that various incident energies cannot change the final structure at low energies if they are below a certain energy.


2018 ◽  
Vol 20 (14) ◽  
pp. 9084-9089 ◽  
Author(s):  
Marie-Christine Bacchus-Montabonel

The role of sulfur in proton-induced charge transfer is analyzed through an ab initio theoretical study of mercaptoacetonitrile HSCH2CN with related HCN oligomers.


2008 ◽  
Vol 51 (7) ◽  
pp. 765-772 ◽  
Author(s):  
Qiang Zhao ◽  
FengShou Zhang ◽  
HongYu Zhou

1996 ◽  
Vol 54 (2) ◽  
pp. 534-553 ◽  
Author(s):  
M. Viviani ◽  
R. Schiavilla ◽  
A. Kievsky

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