Ground state and transition state contributions to the rates of intramolecular and enzymatic reactions

被引:263
作者
Bruice, TC [1 ]
Lightstone, FC [1 ]
机构
[1] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA
关键词
D O I
10.1021/ar960131y
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:127 / 136
页数:10
相关论文
共 41 条
[11]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].
FRISCH, MJ ;
POPLE, JA ;
BINKLEY, JS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269
[12]   REACTION-PATH FOLLOWING IN MASS-WEIGHTED INTERNAL COORDINATES [J].
GONZALEZ, C ;
SCHLEGEL, HB .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) :5523-5527
[13]   AN IMPROVED ALGORITHM FOR REACTION-PATH FOLLOWING [J].
GONZALEZ, C ;
SCHLEGEL, HB .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (04) :2154-2161
[14]   STEREOPOPULATION CONTROL .9. RATE AND EQUILIBRIUM ENHANCEMENT IN THE LACTONIZATION OF (ORTHO-HYDROXYPHENYL)ACETIC ACIDS [J].
HILLERY, PS ;
COHEN, LA .
JOURNAL OF ORGANIC CHEMISTRY, 1983, 48 (20) :3465-3471
[15]   QUANTITATIVE MODELING OF PROXIMITY EFFECTS ON ORGANIC-REACTIVITY [J].
HOUK, KN ;
TUCKER, JA ;
DORIGO, AE .
ACCOUNTS OF CHEMICAL RESEARCH, 1990, 23 (04) :107-113
[16]   RING-CLOSURE REACTIONS OF BIFUNCTIONAL CHAIN MOLECULES [J].
ILLUMINATI, G ;
MANDOLINI, L .
ACCOUNTS OF CHEMICAL RESEARCH, 1981, 14 (04) :95-102
[17]  
Jencks W. P., 1969, CATALYSIS CHEM ENZYM
[18]  
Kirby A. J., 1980, Advances in Physical Organic Chemistry, P183
[19]   Enthalpy and entropy in ring closure reactions [J].
Lightstone, FC ;
Bruice, TC .
BIOORGANIC CHEMISTRY, 1998, 26 (04) :193-199
[20]   Molecular dynamics simulations of ground and transition states for the SN2 displacement of Cl- from 1,2-dichloroethane at the active site of Xanthobacter autotrophicus haloalkane dehalogenase [J].
Lightstone, FC ;
Zheng, YJ ;
Bruice, TC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (23) :5611-5621