DIRECT DYNAMICS OF SN2 REACTIONS USING VARIATIONAL TRANSITION-STATE THEORY AND SEMIEMPIRICAL MOLECULAR-ORBITAL THEORIES

被引：0

作者：

GONZALEZLAFONT, A ^{[1
]}

TRUONG, TN ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

[1] UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1990年 / 199卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：82 / PHYS

共 50 条

[41] MOLECULAR-ORBITAL STUDIES OF ORGANIC SUBSTITUENT EFFECTS - SEMIEMPIRICAL CALCULATIONS ON CHARGE AND ENERGY PERTURBATION THROUGH BENZENE NUCLEUS IN A MODEL SN2 REACTION
DAVIDSON, RB
WILLIAMS, CR
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) : 73 - 79
[42] SOLVENT EFFECTS ON SN2 TRANSITION-STATE STRUCTURE .2. THE EFFECT OF ION-PAIRING ON THE SOLVENT EFFECT ON TRANSITION-STATE STRUCTURE
WESTAWAY, KC
LAI, ZG
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1989, 67 (02): : 345 - 349
[43] TRANSITION-STATE STABILIZATION AND ENZYMIC CATALYSIS - KINETIC AND MOLECULAR-ORBITAL STUDIES OF REARRANGEMENT OF CHORISMATE TO PREPHENATE
ANDREWS, PR
SMITH, GD
YOUNG, IG
BIOCHEMISTRY, 1973, 12 (18) : 3492 - 3498
[44] MOLECULAR-ORBITAL STUDIES OF REACTION-MECHANISM AND TRANSITION-STATE STRUCTURES FOR GABA-TRANSAMINASE
ANDREWS, PR
ISKANDER, M
JONES, GP
WINKLER, DA
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1988, 23 (02) : 125 - 132
[45] CORRELATION BETWEEN CROSS INTERACTION CONSTANT AND BOND LENGTH IN THE SN2 TRANSITION-STATE
LEE, IC
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 1988, 9 (03) : 179 - 182
[46] AB-INITIO MOLECULAR-ORBITAL STUDY OF SN2 REACTION OF H- WITH HF
BAYBUTT, P
CHEMICAL PHYSICS LETTERS, 1975, 30 (02) : 293 - 295
[47] SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY - PARAMETERIZATION OF THE MINDO/SR METHOD FOR THE FIRST TRANSITION-METAL SERIES
RODRIGUEZ, LJ
RUETTE, F
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 106 : 179 - 184
[48] DETERMINATION OF REACTIVITY BY MO THEORY .48. INTRINSIC AND THERMODYNAMIC EFFECTS ON THE STRUCTURE AND ENERGY OF THE SN2 TRANSITION-STATE
LEE, I
SEO, HS
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 1986, 7 (06) : 448 - 453
[49] MOLECULAR-ORBITALS FROM GROUP ORBITALS .8. QUANTITATIVE PMO ANALYSIS OF SN2 TRANSITION-STATE
WOLFE, S
KOST, D
NOUVEAU JOURNAL DE CHIMIE-NEW JOURNAL OF CHEMISTRY, 1978, 2 (05): : 441 - 443
[50] STERIC EFFECTS IN SN2 REACTIONS - DETERMINATION OF TRANSITION-STATE STRUCTURES FOR THE QUATERNIZATION OF 2-ALKYLPYRIDINES AND 2-ALKYLTHIAZOLES BY A COMBINED EXPERIMENTAL AND MOLECULAR MECHANICS PROCEDURE
BERG, U
GALLO, R
ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1983, 37 (08): : 661 - 673

← 1 2 3 4 5 →