EVALUATION OF THE DISPERSION CONTRIBUTION TO THE SOLVATION ENERGY - A SIMPLE COMPUTATIONAL MODEL IN THE CONTINUUM APPROXIMATION

被引:332
作者
FLORIS, F
TOMASI, J
机构
关键词
D O I
10.1002/jcc.540100504
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:616 / 627
页数:12
相关论文
共 40 条
[1]  
ABRAHAM RJ, 1988, CHEM SOC F2, V84, P1911
[2]   A SELF-CONSISTENT REACTION FIELD APPROACH TO LIQUID PHOTOIONIZATION [J].
AGREN, H ;
LLANOS, CM ;
MIKKELSEN, KV .
CHEMICAL PHYSICS, 1987, 115 (01) :43-55
[3]  
AHUIR JLP, 1987, J COMPUT CHEM, V8, P778
[4]   ABINITIO EVALUATION OF ABSORPTION AND EMISSION TRANSITIONS FOR MOLECULAR SOLUTES, INCLUDING SEPARATE CONSIDERATION OF ORIENTATIONAL AND INDUCTIVE SOLVENT EFFECTS [J].
BONACCORSI, R ;
CIMIRAGLIA, R ;
TOMASI, J .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (04) :567-577
[5]  
BONACCORSI R, 1986, INT J QUANTUM CHEM, V291, P717
[6]  
CABRAL BJC, 1984, CR ACAD SCI II, V298, P675
[7]  
CLAVERIE P, 1978, J PHYS CHEM-US, V82, P405, DOI 10.1021/j100493a008
[8]   THEORY OF SOLVENT EFFECTS - VIRTUAL CHARGE MODEL TO REPRESENT SOLVENT POLARIZATION [J].
CONSTANCIEL, R ;
TAPIA, O .
THEORETICA CHIMICA ACTA, 1978, 48 (01) :75-86
[9]  
Coxeter H. S. M., 1974, REGULAR COMPLEX POLY
[10]  
DELVALLE FJO, COMMUNICATION