Quantum mechanical continuum solvation models

被引:14460
作者
Tomasi, J
Mennucci, B
Cammi, R
机构
[1] Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy
[2] Univ Parma, Dipartimento Chim, I-43100 Parma, Italy
关键词
D O I
10.1021/cr9904009
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
An overview is given of the present state of the art of continuum models and about perspectives for the future. First, QM versions of the continuum solvation models are outlined. Second, models for solvation effects in very little solutions are elaborated. Third, topics of different origins from which there is still the need of further methodological elaboration are discussed. Finally, the combination of continuum and discrete representations of the medium is described.
引用
收藏
页码:2999 / 3093
页数:95
相关论文
共 942 条