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CORC

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The Nature of the Fourth Bond in the Ground State of C-2 : The Quadruple Bond Conundrum 期刊论文
http://dx.doi.org/10.1002/chem.201400356, 2014
Danovich, David; Hiberty, Philippe C.; Wu, Wei; Rzepa, Henry S.; Shaik, Sason; 吴玮
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium-Nickel Nanoalloys 期刊论文
http://dx.doi.org/10.1021/ja5026744, 2014
Shan, Shiyao; Petkov, Valeri; Yang, Lefu; Luo, Jin; Joseph, Pharrah; Mayzel, Dina; Prasai, Binay; Wang, Lingyan; Engelhard, Mark; Zhong, Chuan-Jian; 杨乐夫; 钟传建
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
The nature of the fourth bond in the ground state of C2: The quadruple bond conundrum 期刊论文
http://dx.doi.org/10.1002/chem.201400356, 2014
Danovich, David; Hiberty, Philippe C.; Wu, Wei; Rzepa, Henry S.; Shaik, Sason; 吴玮
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Mechanisms and kinetics of hydrogen abstraction of methylhydrazine and deuterated methylhydrazine with H/D atoms 期刊论文
http://dx.doi.org/10.1007/s00214-012-1321-9, 2013
Wang, Li; Zhao, Yuan; Wen, Jinmiao; Zhang, Jinglai; 赵媛
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Strong lone pair center dot center dot center dot pi interactions between amine and tri-s-triazine derivatives: A theoretical investigation 期刊论文
http://dx.doi.org/10.1016/j.comptc.2013.05.022, 2013
An, Juan-Juan; Wu, Ren-Ming; Yang, Ting; Wu, De-Yin; Wang, Xin; 吴德印
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors 期刊论文
http://dx.doi.org/10.1002/jcc.23303, 2013
Rao, Li; Zhang, Igor Ying; Guo, Wenping; Feng, Li; Meggers, Eric; Xu, Xin; 徐昕; ERIC MEGGERS
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
CHAMELEON GROUND STATE AND EXCITED STATES OF EDT-TTF-IM-F(4)TCNQ RADICAL DYAD IN DIFFERENT ENVIRONMENTS 期刊论文
http://dx.doi.org/10.1142/S0219633612500319, 2012
Zhou, Yuhua; Tan, Kai; Lu, Xin; 吕鑫
收藏  |  浏览/下载：45/0  |  提交时间：2015/07/22
Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 期刊论文
http://dx.doi.org/10.1063/1.3703893, 2012
Zhang, Igor Ying; Su, Neil Qiang; Bremond, Eric A. G.; Adamo, Carlo; Xu, Xin; 徐昕
收藏  |  浏览/下载：8/0  |  提交时间：2015/07/22
Gas-Phase Thermodynamics as a Validation of Computational Catalysis on Surfaces: A Case Study of Fischer-Tropsch Synthesis 期刊论文
http://dx.doi.org/10.1002/cphc.201100909, 2012
Zhang, Igor Ying; Xu, Xin; 徐昕
收藏  |  浏览/下载：7/0  |  提交时间：2015/07/22
Theoretical Investigations of Spin Orbit Coupling and Kinetics in Reaction W + NH3 -> N WH3 期刊论文
2012
Si, Yubing; Zhang, Weiwei; Zhao, Yi; 赵仪
收藏  |  浏览/下载：4/0  |  提交时间：2013/04/22

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