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褐煤分子片段结构电子吸收光谱的理论研究 期刊论文
2015
胡薛; 孙铭骏; 张向飞; 曹泽星
收藏  |  浏览/下载：10/0  |  提交时间：2016/05/17
DFT and TD-DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells 期刊论文
http://dx.doi.org/10.1007/s00214-014-1531-4, 2014
Sun, Mingjun; Cao, Zexing; 曹泽星
收藏  |  浏览/下载：121/0  |  提交时间：2015/07/22
Energy Decomposition Scheme Based on the Generalized Kohn-Sham Scheme 期刊论文
http://dx.doi.org/10.1021/jp500405s, 2014
Su, Peifeng; Jiang, Zhen; Chen, Zuochang; Wu, Wei; 苏培峰; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Cyclization Reactions of Anode-Generated Amidyl Radicals 期刊论文
http://dx.doi.org/10.1021/jo402623r, 2014
Xu, Hai-Chao; Campbell, John M.; Moeller, Kevin D.; 徐海超
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Theoretical study on the stability of osmasilabenzynes 期刊论文
http://dx.doi.org/10.1039/c3dt53528b, 2014
Huang, Ying; Wang, Xuerui; An, Ke; Fan, Jinglan; Zhu, Jun; 朱军
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
One-Pot Synthesis of Pyrazoles through a Four-Step Cascade Sequence 期刊论文
http://dx.doi.org/10.1002/chem.201204322, 2013
Hao, Lu; Hong, Jun-Jie; Zhu, Jun; Zhan, Zhuang-Ping; 朱军; 詹庄平
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
Mechanistic Insight into the CO2 Capture by Amidophosphoranes: Interplay of the Ring Strain and the trans Influence Determines the Reactivity of the Frustrated Lewis Pairs 期刊论文
http://dx.doi.org/10.1002/asia.201300864, 2013
Zhu, Jun; An, Ke; 朱军
收藏  |  浏览/下载：3/0  |  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

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