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

来源：

ACCOUNTS OF CHEMICAL RESEARCH | 1999年 / 32卷 / 02期

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

页码：127 / 136

页数：10

共 41 条

[1] MOLECULAR MECHANICS (MM3) STUDIES OF CARBOXYLIC-ACIDS AND ESTERS [J].

ALLINGER, NL ;

ZHU, ZQ ;

CHEN, KH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (15) :6120-6133

[2] MECHANISM OF ONE-ELECTRON OXIDATION OF NAD(P)H AND FUNCTION OF NADPH BOUND TO CATALASE [J].

ALMARSSON, O ;

SINHA, A ;

GOPINATH, E ;

BRUICE, TC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (16) :7093-7102

[3] EVALUATION OF THE FACTORS INFLUENCING REACTIVITY AND STEREOSPECIFICITY IN NAD(P)H DEPENDENT DEHYDROGENASE ENZYMES [J].

ALMARSSON, O ;

BRUICE, TC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (06) :2125-2138

[4] KINETIC IMPORTANCE OF CONFORMATIONS OF NICOTINAMIDE ADENINE-DINUCLEOTIDE IN THE REACTIONS OF DEHYDROGENASE ENZYMES [J].

ALMARSSON, O ;

KARAMAN, R ;

BRUICE, TC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (22) :8702-8704

[5] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[6] COMPENSATION IN DELTA H+ + DELTA S+ ACCOMPANYING CONVERSION OF LOWER ORDER NUCLEOPHILIC DISPLACEMENT REACTIONS TO HIGHER ORDER CATALYTIC PROCESSES . TEMPERATURE DEPENDENCE OF HYDRAZINOLYSIS + IMIDAZOLE-CATALYZED HYDROLYSIS OF SUBSTITUTED PHENYL ACETATES [J].

BRUICE, TC ;

BENKOVIC, SJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (03) :418-&

[7] THE EFFECT OF GEMINAL SUBSTITUTION RING SIZE AND ROTAMER DISTRIBUTION ON THE INTRAMOLECULAR NUCLEOPHILIC CATALYSIS OF THE HYDROLYSIS OF MONOPHENYL ESTERS OF DIBASIC ACIDS AND THE SOLVOLYSIS OF THE INTERMEDIATE ANHYDRIDES [J].

BRUICE, TC ;

PANDIT, UK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1960, 82 (22) :5858-5865

[8] EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].

CLARK, T ;

CHANDRASEKHAR, J ;

SPITZNAGEL, GW ;

SCHLEYER, PV .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301

[9] A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES [J].

CORNELL, WD ;

CIEPLAK, P ;

BAYLY, CI ;

GOULD, IR ;

MERZ, KM ;

FERGUSON, DM ;

SPELLMEYER, DC ;

FOX, T ;

CALDWELL, JW ;

KOLLMAN, PA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (19) :5179-5197

[10]

Frisch M.J., 1995, GAUSSIAN 94

← 1 2 3 4 5 →