GENERALIZED TRANSITION-STATE THEORY - CANONICAL VARIATIONAL CALCULATIONS USING THE BOND ENERGY BOND ORDER METHOD FOR BIMOLECULAR REACTIONS OF COMBUSTION PRODUCTS

被引：106

作者：

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

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

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1979年 / 101卷 / 18期

关键词：

D O I：

10.1021/ja00512a016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5207 / 5217

页数：11

共 44 条

[1] GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS
GARRETT, BC
TRUHLAR, DG
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4534 - 4548
[2] CORRESPONDENCE OF CANONICAL AND MICROCANONICAL RATE CONSTANTS USING VARIATIONAL TRANSITION-STATE THEORY FOR SIMPLE BOND FISSIONS
SCHRANZ, HW
RAFF, LM
THOMPSON, DL
CHEMICAL PHYSICS LETTERS, 1990, 171 (1-2) : 68 - 76
[3] THE EFFECT OF TRANSITION-STATE BOND ORDER ON SIGMATROPIC SHIFTS AND CYCLOADDITION REACTIONS
FORMOSINHO, SJ
TETRAHEDRON, 1986, 42 (16) : 4557 - 4562
[4] PROPERTIES OF CANONICAL VARIATIONAL TRANSITION-STATE THEORY FOR ASSOCIATION REACTIONS WITHOUT POTENTIAL-ENERGY BARRIERS
HU, XC
HASE, WL
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (16): : 6029 - 6038
[5] THE ROLE OF THE TRANSITION-STATE BOND ORDER AND REACTION ENERGY IN METHYL NUCLEOPHILIC SUBSTITUTIONS
FORMOSINHO, SJ
TETRAHEDRON, 1987, 43 (06) : 1109 - 1116
[6] CANONICAL VARIATIONAL TRANSITION-STATE THEORY FOR DISSIPATIVE SYSTEMS - APPLICATION TO GENERALIZED LANGEVIN-EQUATIONS
FRISHMAN, A
POLLAK, E
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (12): : 8877 - 8888
[7] THE ROLE OF REACTION ENERGY AND TRANSITION-STATE BOND ORDER ON THE REACTIVITY OF AMBIFUNCTIONAL COMPOUNDS IN SOLUTION
FORMOSINHO, SJ
ARNAUT, LG
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1989, (12): : 1947 - 1952
[8] VARIATIONAL TRANSITION-STATE THEORY METHODS FOR CALCULATIONS OF RATE CONSTANTS OF REACTIONS IN GAS AND SOLUTION PHASES
GARRETT, BC
SCHENTER, GK
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 208 : 173 - COMP
[9] A SEMI-EMPIRICAL CANONICAL VARIATIONAL TRANSITION-STATE THEORY MODEL FOR ASSOCIATION REACTIONS WITHOUT POTENTIAL-ENERGY BARRIERS
HASE, WL
HU, X
CHEMICAL PHYSICS LETTERS, 1989, 156 (01) : 115 - 118
[10] THE EFFECT OF TRANSITION-STATE BOND ANGLE ON VIBRATIONAL-ENERGY RELEASE IN CHEMICAL-REACTIONS
BLAIS, NC
TRUHLAR, DG
CHEMICAL PHYSICS LETTERS, 1985, 118 (04) : 379 - 383

← 1 2 3 4 5 →