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CORC

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弱氢键作用对硫脲水溶液拉曼光谱影响的密度泛函理论计算 期刊论文
2014
苏亚琼; 吴德印; 田中群
收藏  |  浏览/下载：4/0  |  提交时间：2016/05/17
On the Nature of Blueshifting Hydrogen Bonds 期刊论文
http://dx.doi.org/10.1002/chem.201402189, 2014
Mo, Yirong; Wang, Changwei; Guan, Liangyu; Braida, Benoit; Hiberty, Philippe C.; Wu, Wei; 莫亦荣; 吴玮
收藏  |  浏览/下载：121/0  |  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：6/0  |  提交时间：2015/07/22
p-π共轭分子的氨基面外弯曲振动模的拉曼光谱 期刊论文
2013
陶莎; 于利娟; 吴德印; 田中群
收藏  |  浏览/下载：6/0  |  提交时间：2016/05/17
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
A Theoretical Study of the Mechanism for Allylic Ether Isomerization 期刊论文
http://dx.doi.org/10.6023/A13680836, 2013
Wang Hong; He Qiao; Tan Kai; 王红; 谭凯
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Synthesis and Solid-State Investigations of Oligo-Phenylene-Ethynylene Structures with Halide End-Groups 期刊论文
http://dx.doi.org/10.1002/ejoc.201200033, 2012
Jenny, Nicolas M.; Wang, Hong; Neuburger, Markus; Fuchs, Harald; Chi, Lifeng; Mayor, Marcel; 王红
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Dispersion-Corrected Energy Decomposition Analysis for Intermolecular Interactions Based on the BLW and dDXDM Methods 期刊论文
2011
Steinmann, Stephan N.（ Ecole Polytech Fed Lausanne, Inst Sci & Ingenierie Chim）; Corminboeuf, Clemence（ Ecole Polytech Fed Lausanne, Inst Sci & Ingenierie Chim）; Wu, Wei; 吴玮; Mo, Yirong（ Western Michigan Univ, Dept Chem）
收藏  |  浏览/下载：3/0  |  提交时间：2012/03/05
Dimethyl (E)-2-(N-phenylacetamido)but-2-enedioate 期刊论文
2011
Guo, Shui Liang; Fu, Chen; Wen, Ting Bin; 温庭斌
收藏  |  浏览/下载：4/0  |  提交时间：2012/03/26
Performance of Several Density Functional Theory Methods on Describing Hydrogen-Bond Interactions 期刊论文
2008
Rao, Li; Ke, Hongwei（Hong Kong Univ Sci & Technol, Dept Chem）; Fu, Gang; Xu, Xin; 徐昕; Yan, Yijing（Hong Kong Univ Sci & Technol, Dept Chem）
收藏  |  浏览/下载：3/0  |  提交时间：2011/04/26

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