MNDO-EFFECTIVE CHARGE MODEL STUDY OF SOLVENT EFFECT ON THE POTENTIAL-ENERGY SURFACE OF THE SN2 REACTION

被引：71

作者：

KOZAKI, T ^{[1
]}

MORIHASHI, K ^{[1
]}

KIKUCHI, O ^{[1
]}

机构：

[1] UNIV TSUKUBA,DEPT CHEM,SAKURA,IBARAKI 305,JAPAN

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1989年 / 111卷 / 05期

关键词：

D O I：

10.1021/ja00187a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1547 / 1552

页数：6

共 58 条

[51] INTRINSIC BARRIERS IN NUCLEOPHILIC DISPLACEMENTS [J].

PELLERITE, MJ ;

BRAUMAN, JI .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (19) :5993-5999

[52] ELECTRODE POTENTIALS AND HYDRATION ENERGIES - THEORIES AND CORRELATIONS [J].

ROSSEINSKY, DR .

CHEMICAL REVIEWS, 1965, 65 (04) :467-+

[53] C-POTENTIAL SURFACE FOR PREDICTING CONFORMATIONS OF MOLECULES IN SOLUTION [J].

SINANOGLU, O .

THEORETICA CHIMICA ACTA, 1974, 33 (04) :279-284

[54] THEORETICAL-STUDY OF THE H-+CH3CL SN2 REACTION [J].

TALATY, ER ;

WOODS, JJ ;

SIMONS, G .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1979, 32 (10) :2289-2291

[55] GAS-PHASE REACTIONS OF ANIONS WITH HALOGENATED METHANES AT 297+/-2 K [J].

TANAKA, K ;

MACKAY, GI ;

PAYZANT, JD ;

BOHME, DK .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1976, 54 (10) :1643-1659

[56] SOME REMARKS ON SCRF THEORY OF SOLVENT EFFECTS AND CALCULATION OF PROTON POTENTIALS [J].

TAPIA, O .

THEORETICA CHIMICA ACTA, 1978, 47 (02) :157-169

[57]

TAPIA O, 1981, QUANTUM THEORY CHEM, V2, P25

[58] THEORETICAL-STUDIES OF SN2 TRANSITION-STATES .1. GEOMETRIES [J].

WOLFE, S ;

MITCHELL, DJ ;

SCHLEGEL, HB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (25) :7692-7694

← 1 2 3 4 5 6 →