Communications in Computational Chemistry CiCC Volume 1, Number 4

Volume 1, Number 4

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The Stereodynamics Study of the Reaction S+H₂ (v = 0-3, j = 0, 2, 4, 6) $\rightarrow$ SH+H

Guang-Ling Shan, Mei-Shan Wang & Chuan-Lu Yang

10.4208/cicc.2013.v1.n4.1

Commun. Comput. Chem., 1 (2013), pp. 307-314.

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Theoretical Calculation of Vector Correlations of the Reaction D (²S)+HS $\rightarrow$ S+DH

Yu-Ao Guo, Bo Zhou & Qiang Wei

10.4208/cicc.2013.v1.n4.2

Commun. Comput. Chem., 1 (2013), pp. 315-320.

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The Effects of Reagent Rotation on the Stereodynamics of O (¹D)+HCl $\rightarrow$ ClO+H Reaction at a Hyperthermal Collision Energy

Mei-Hua Ge, Huan Yang & Yu-Jun Zheng

10.4208/cicc.2013.v1.n4.3

Commun. Comput. Chem., 1 (2013), pp. 321-327.

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Biological Activity, Hydrogen Bonding and Natural Bonding Orbital Analyses of 2-Fluoro L-Histidine: A Computational Study

Ambrish K. Srivastava & Neeraj Misra

10.4208/cicc.2013.v1.n4.4

Commun. Comput. Chem., 1 (2013), pp. 328-341.

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Theoretical Investigation on Nonlinear Optical Properties of Novel O-Carborane Derives

Jinling Cheng & Di Liu

10.4208/cicc.2013.v1.n4.5

Commun. Comput. Chem., 1 (2013), pp. 342-350.

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Extensive Ab Initio Study on the Low-Lying Excited States of SiBr⁺ Including Spin-Orbit Coupling

Hong-Sheng Zhai, Xiao-Mei Zhang & Yu-Fang Liu

10.4208/cicc.2013.v1.n4.6

Commun. Comput. Chem., 1 (2013), pp. 351-361.

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