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CORC

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How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference 期刊论文
http://dx.doi.org/10.1021/jo402306e, 2014
Wang, Changwei; Ying, Fuming; Wu, Wei; Mo, Yirong; 吴玮; 莫亦荣
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22
VBEFP/PCM: A QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution 期刊论文
http://dx.doi.org/10.1007/s11426-014-5192-x, 2014
Huang, Jing; Ying, Fuming; Su, Peifeng; Wu, Wei; 苏培峰; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Planar Mobius aromatic pentalenes incorporating 16 and 18 valence electron osmiums 期刊论文
http://dx.doi.org/10.1038/ncomms4265, 2014
Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping; 朱军; 夏海平
收藏  |  浏览/下载：4/0  |  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
Ab initio nonorthogonal valence bond methods 期刊论文
http://dx.doi.org/10.1002/wcms.1105, 2013
Su, Peifeng; Wu, Wei; 苏培峰; 吴玮
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Theory and algorithms for the excited states of large molecules and molecular aggregates 期刊论文
http://dx.doi.org/10.1007/s11426-013-4907-8, 2013
Liang, Wanzhen; Wu, Wei; 梁万珍; 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 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
Free energy decomposition analysis of bonding and nonbonding interactions in solution 期刊论文
2012
Su, Peifeng; 苏培峰; Liu, Hui; Wu, Wei; 吴伟
收藏  |  浏览/下载：2/0  |  提交时间：2013/03/08
INSIGHTS INTO THE SOLVATO-/THERMO-PROMOTED INTRAMOLECULAR ELECTRON TRANSFER IN A TTF-sigma -TCNQ DYAD WITH AN EXTREMELY LOW HOMO-LUMO GAP 期刊论文
2012
Zhou, Yuhua; Tan, Kai; 谭凯; Lu, Xin; 吕鑫
收藏  |  浏览/下载：3/0  |  提交时间：2013/03/26
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

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