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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
Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings 期刊论文
http://dx.doi.org/10.1021/ct2008318, 2012
Mo, Yirong; Song, Lingchun; Lin, Yuchun; Liu, Minghong; Cao, Zexing; Wu, Wei; 曹泽星
收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12
Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings 期刊论文
http://dx.doi.org/10.1021/ct2008318, 2012
Mo, Y. R.; Song, L. C.; Lin, Y. C.; Liu, M. H.; Cao, Z. X.; Wu, W.; 吴玮
收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12
Functional Role of Asp160 and the Deprotonation Mechanism of Ammonium in the Escherichia coli Ammonia Channel Protein AmtB 期刊论文
2009
Lin, Yuchun（Western Michigan Univ, Dept Chem）; Cao, Zexing; 曹泽星; Mo, Yirong
收藏  |  浏览/下载：4/0  |  提交时间：2011/04/26
VBSM: A Solvation Model Based on Valence Bond Theory 期刊论文
2008
Su, Peifeng; Wu, Wei; 吴玮; Kelly, Casey P.（Univ Minnesota, Inst Supercomp）; Cramer, Christopher J.（Univ Minnesota, Inst Supercomp）; Truhlar, Donald G.（Univ Minnesota, Inst Supercomp）
收藏  |  浏览/下载：1/0  |  提交时间：2011/04/26
Heterolytic bond dissociation in water: Why is it so easy for C4H9Cl but not for C3H9SiCl? 期刊论文
2008
Su, Peifeng; Song, Lingchun; Wu, Wei; 吴玮; Shaik, Sason（Hebrew Univ Jerusalem, Dept Organ Chem）; Hiberty, Philippe C.（Univ Paris 11, CNRS）
收藏  |  浏览/下载：4/0  |  提交时间：2011/04/26
Valence bond calculations on the transition state for the E2 reaction of fluoride ion with ethyl fluoride - Implications for the More O‘Ferrall-Jencks diagram 期刊论文
http://dx.doi.org/10.1139/V05-161, 2005
Wu, W; Shaik, S; Saunders, WH
收藏  |  浏览/下载：3/0  |  提交时间：2013/12/12
Effects of surface modification of TiO2 with ascorbic acid on photocatalytic decolorization of an azo dye reactions and mechanisms 期刊论文
2005
Yan Ou; Jing-Dong Lin; 林敬东; Hong-Mei Zou; Dai-Wei Liao; 廖代伟
收藏  |  浏览/下载：2/0  |  提交时间：2011/10/25
VBPCM: A valence bond method that incorporates a polarizable continuum model 期刊论文
http://dx.doi.org/10.1021/jp049467c, 2004
Song, L. C.; Wu, W.; Zhang, Q. N.; Shaik, S.; 张乾二
收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12
VBPCM: A valence bond method that incorporates a polarizable continuum model 期刊论文
http://dx.doi.org/10.1021/jp049467c, 2004
Wu,W; Shaik,S; Song,LC; Zhang,QN; 吴玮
收藏  |  浏览/下载：1/0  |  提交时间：2013/12/12

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