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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
The V state of ethylene: valence bond theory takes up the challenge 期刊论文
http://dx.doi.org/10.1007/s00214-013-1441-x, 2014
Wu, Wei; Zhang, Huaiyu; Braida, Benoit; Shaik, Sason; Hiberty, Philippe C.; 吴玮
收藏  |  浏览/下载：15/0  |  提交时间：2015/07/22
Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories 期刊论文
http://dx.doi.org/10.1021/ct500367s, 2014
Zhang, Huaiyu; Danovich, David; Wu, Wei; Braida, Benoit; Hiberty, Philippe C.; Shaik, Sason; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin 期刊论文
http://dx.doi.org/10.1063/1.4885845, 2014
Li, Junfeng; Rinkevicius, Zilvinas; Cao, Zexing; 曹泽星
收藏  |  浏览/下载：3/0  |  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
Aromaticity effects on the profiles of the lowest triplet-state potential-energy surfaces for rotation about the C=C bonds of olefins with five-membered ring substituents: An example of the impact of Baird's rule 期刊论文
http://dx.doi.org/10.1002/chem.201300008, 2013
Zhu, Ju; Fogarty, Heather A.; M?llerstedt, Helene; Brink, Maria; Ottosson, Henrik; 朱军
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model 期刊论文
http://dx.doi.org/10.1063/1.4773397, 2013
Liu, Jie; Liang, WanZhen; 刘婕; 梁万珍
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect 期刊论文
http://dx.doi.org/10.1063/1674-0068/26/06/617-626, 2013
Sun, Chao; Liu, Jie; Liang, Wan-zhen; Zhao, Yi; 刘婕; 梁万珍; 赵仪
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Theoretical Study of Substituent Effects on Bond Dissociation Enthalpies in Lignite Model Compounds 期刊论文
http://dx.doi.org/10.6023/A13030318, 2013
Wang Xinhua; Feng Li; Cao Zexing; Liu Xiangchun; Tang Haiyan; Zhang Man; 曹泽星
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Aromaticity Effects on the Profiles of the Lowest Triplet-State Potential-Energy Surfaces for Rotation about the CC Bonds of Olefins with Five-Membered Ring Substituents: An Example of the Impact of Baird's Rule 期刊论文
http://dx.doi.org/10.1002/chem.201300008, 2013
Zhu, Jun; Fogarty, Heather A.; Mollerstedt, Helene; Brink, Maria; Ottosson, Henrik; 朱军
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22

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