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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
Molecular properties of excited electronic state: Formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics 期刊论文
http://dx.doi.org/10.1063/1.4863563, 2014
Zeng, Qiao; 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 Study on the Stability and Aromaticity of Metallasilapentalynes 期刊论文
http://dx.doi.org/10.1021/om500170w, 2014
Wang, Xuerui; Zhu, Congqing; Xia, Haiping; Zhu, Jun; 夏海平; 朱军
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22
In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study 期刊论文
http://dx.doi.org/10.1021/jp409767r, 2014
Emanuelsson, Rikard; Lofas, Henrik; Zhu, Jun; Ahuja, Rajeev; Grigoriev, Anton; Ottosson, Henrik; 朱军
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
Theoretical study on supramolecular chemistry of alkali-metal cations with crown ether derivatized thiophenes 期刊论文
http://dx.doi.org/10.1142/S0219633614500291, 2014
Wang, Qin; Li, Mi; Wang, Xue-Ye; Li, Ling; 王勤
收藏  |  浏览/下载：3/0  |  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
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
On the large sigma-hyperconjugation in alkanes and alkenes 期刊论文
http://dx.doi.org/10.1007/s00894-014-2228-2, 2014
Wu, Judy I-Chia; Wang, Changwei; McKee, William Chadwick; Schleyer, Paul von Rague; Wu, Wei; Mo, Yirong; 吴玮; 莫亦荣
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)(2)(eta(5)-C5H5) and p-G-C6H4SFe(CO)(2)(eta(5)-C5H5) 期刊论文
http://dx.doi.org/10.1002/poc.3252, 2014
Zeng, Qing; Li, Zucheng; Han, Daxiong; Dong, Ling; Zhai, Huaqiang; Liu, Bin; Bai, Genben; Zhang, Yujie; 韩大雄
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22

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