Communications in Computational Chemistry CiCC Volume 2, Number 2

Volume 2, Number 2

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Plasmonic Nanostructures Assisted Generation of x-Ray Sources

Liqiang Feng & Hang Liu

10.4208/cicc.2014.v2.n2.1

Commun. Comput. Chem., 2 (2014), pp. 47-53.

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Theoretical Study of the Nitration Mechanism of Furoxan by Dinitrogen Pentoxide

Junxia Ding, Weipeng Lai & Xiaofang Chen

10.4208/cicc.2014.v2.n2.2

Commun. Comput. Chem., 2 (2014), pp. 54-60.

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Quasi-Classical Trajectory Study of the Effects of Reactant Ro-Vibrational Excitation on the H(²S)+ClO(²∏) → OH(²∏)+Cl(²P) Reaction

Chuang Li, Jingmin Kuang, Yujing Zhao & Yanru Huang

10.4208/cicc.2014.v2.n2.3

Commun. Comput. Chem., 2 (2014), pp. 61-68.

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Exploration of Electronic Excited States via Variational Self-Consistent Field Methods

Bo Shi

10.4208/cicc.2014.v2.n2.4

Commun. Comput. Chem., 2 (2014), pp. 69-87.

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A DFT/TDDFT Study on the Luminescence Property and Adsorption Behaviors of a Luminescence MOFs as a Potential Probe for Detecting Formaldehyde

Shuhe Kang, Zhiqiao Liu, Jiaojie Tan, Ce Hao & Jieshan Qiu

10.4208/cicc.2014.v2.n2.5

Commun. Comput. Chem., 2 (2014), pp. 88-100.

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