Development and Application of First-Principles Electronic Structure Approach for Molecules in Solution Based on Fully Polarizable Continuum Model

Development and Application of First-Principles Electronic Structure Approach for Molecules in Solution Based on Fully Polarizable Continuum Model

下载PDF

导出

作者 ZHAN Chang-Guo

机构地区 Department of Pharmaceutical Sciences

出处《物理化学学报》 SCIE CAS CSCD 北大核心 2011年第1期1-10,共10页 Acta Physico-Chimica Sinica

关键词摘要编辑部编辑工作读者 Solvation Solvent effect Electronic structure theory Continuum model

参考文献129

1Rivail, J. L.; Rinaldi, D. Computational chemistry: reviews of current trends. Leszczynski, J. Ed. Singapore: World Scientific, 1996:Vol.1,p139.
2Orozco, M.;Luque, F.J. Chem. Rev.,2000,100:4187.
3Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev., 2005,105:2999.
4Cramer, C. J.; Truhlar, D. G.Acc. Chem. Res., 2009, 42:493.
5Bandyopadhyay, P.; Gordon, M. S.J. Chem. Phys., 2000,113:1104.
6Zhan, C. G.; Landry, D. W.; Omstein, R. L. J. Am. Chem. Soc., 2000, 122:1522.
7Zhan, C. G.; Landry, D. W.; Omstein, R. L, ,L Am. Chem. Soc., 2000, 122:2621.
8Gronert, S.; Pratt, L. M.; Mogali, S. a( Am. Chem. Soc., 2001,123: 3081.
9Clementi, E. Computational aspects of large chemical systems. Berlin: Springer, 1980.
10Gao, J.; Xia, X. F. Science, 1992, 258:631.

物理化学学报

2011年第1期

内容加载中请稍等...