MEDIUM EFFECTS ON THE MOLECULAR ELECTRONIC-STRUCTURE .1. THE FORMULATION OF A THEORY FOR THE ESTIMATION OF A MOLECULAR ELECTRONIC-STRUCTURE SURROUNDED BY AN ANISOTROPIC MEDIUM

被引:169
作者
HOSHI, H [1 ]
SAKURAI, M [1 ]
INOUE, Y [1 ]
CHUJO, R [1 ]
机构
[1] TOKYO INST TECHNOL, DEPT POLYMER CHEM, 12-1 OOKAYAMA 2 CHOME, MEGURO KU, TOKYO 152, JAPAN
关键词
D O I
10.1063/1.453343
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:1107 / 1115
页数:9
相关论文
共 39 条
[1]   SOME QUANTUM CHEMICAL ASPECTS OF SOLVENT EFFECTS ON NMR PARAMETERS [J].
ANDO, I ;
WEBB, GA .
ORGANIC MAGNETIC RESONANCE, 1981, 15 (02) :111-130
[2]   STRUCTURE AND MECHANISM OF CHYMOTRYPSIN [J].
BLOW, DM .
ACCOUNTS OF CHEMICAL RESEARCH, 1976, 9 (04) :145-152
[3]   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
[4]  
BONACCORSI R, 1983, J MOL STRUC-THEOCHEM, V11, P11, DOI 10.1016/0166-1280(83)80152-3
[5]   ON THE FREE-ENERGY CHANGES OF A SOLUTION IN LIGHT-ABSORPTION OR EMISSION PROCESSES [J].
BONACCORSI, R ;
CIMIRAGLIA, R ;
TOMASI, J .
CHEMICAL PHYSICS LETTERS, 1983, 99 (01) :77-82
[6]   CONFORMATIONAL ENERGY OF GLYCINE IN AQUEOUS-SOLUTIONS AND RELATIVE STABILITY OF THE ZWITTERIONIC AND NEUTRAL FORMS - AN ABINITIO STUDY [J].
BONACCORSI, R ;
PALLA, P ;
TOMASI, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (07) :1945-1950
[7]   THEORETICAL SOLVENT EFFECTS ON MOLECULAR-STRUCTURE AND SPECTROSCOPIC PROPERTIES THROUGH THE VIRTUAL-CHARGE MODEL - APPLICATION TO THE INVERTED SOLVATOCHROMY OF BENZOPHENONE N-]PI-STAR AND PI-]PI-STAR ABSORPTION-BANDS [J].
BOTREL, A ;
CORRE, F ;
LEBEUZE, A .
CHEMICAL PHYSICS, 1983, 74 (03) :383-394
[8]  
CLEMENTI E, 1980, HORIZONS QUANTUM CHE, P267
[9]   STRUCTURE OF THERMOLYSIN - ELECTRON-DENSITY MAP AT 2.3 A RESOLUTION [J].
COLMAN, PM ;
MATTHEWS, BW ;
JANSONIUS, JN .
JOURNAL OF MOLECULAR BIOLOGY, 1972, 70 (03) :701-+
[10]   SELF-CONSISTENT FIELD-THEORY OF SOLVENT EFFECTS REPRESENTATION BY CONTINUUM MODELS - INTRODUCTION OF DESOLVATION CONTRIBUTION [J].
CONSTANCIEL, R ;
CONTRERAS, R .
THEORETICA CHIMICA ACTA, 1984, 65 (01) :1-11