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Journal of Computational Chemistry|April 10, 2002
Theoretical study on the mechanism of the 1CHCl + NO reactionJian-Jun Liu, Yi-Hong Ding, Yu-Guo Tao, et al.The Journal of Physical Chemistry. A|July 13, 2006
Study of pi halogen bonds in complexes C2H(4-n)Fn-ClF (n = 0-2)Rui-Yan Li, Zhi-Ru Li, Di Wu, et al.Journal of Computational Chemistry|July 13, 2002
Theoretical study on the mechanism of the (3)CH(2) + NO(2) reactionJian-Jun Liu, Yi-Hong Ding, Yu-Guo Tao, et al.The Journal of Physical Chemistry. A|March 27, 2010
A theoretical study of the low-lying electronic states of the AlCCH radical and its ionsYue-Jie Liu, Zeng-Xia Zhao, Ming-Xing Song, et al.The Journal of Chemical Physics|July 23, 2004
Si2CN: a stable nitrogen-containing radical with cyclic ground stateGuang-Hui Chen, Yi-Hong Ding, Xu-Ri Huang, et al.The Journal of Physical Chemistry. A|April 5, 2008
Direct dynamics study of the hydrogen-abstraction reaction of 1,1,2,2,3-fluorinated propane with the hydroxyl radicalHong Gao, Ying Wang, Jing-Yao Liu, et al.The Journal of Physical Chemistry. B|November 28, 2006
An automatic coarse-graining and fine-graining simulation method: application on polyethyleneLi-Jun Chen, Hu-Jun Qian, Zhong-Yuan Lu, et al.Journal of Molecular Modeling|December 17, 2008
Analysis of a three-dimensional structure of human acidic mammalian chitinase obtained by homology modeling and ligand binding studiesYong-Shan Zhao, Qing-Chuan Zheng, Hong-Xing Zhang, et al.Journal of Computational Chemistry|December 23, 2006
A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 methodZi-Zhang Wei, Bu-Tong Li, Hong-Xing Zhang, et al.The Journal of Physical Chemistry. A|July 13, 2006
Inverse sodium hydride: density functional theory study of the large nonlinear optical propertiesWei Chen, Zhi-Ru Li, Di Wu, et al.Pageof 17