HYDROGEN ABSTRACTIONS FROM METHYL-GROUPS BY ATOMIC OXYGEN - KINETIC ISOTOPE EFFECTS CALCULATED FROM MNDO UHF RESULTS AND AN ASSESSMENT OF THEIR APPLICABILITY TO MONOOXYGENASE-DEPENDENT HYDROXYLATIONS

被引:26
作者
PUDZIANOWSKI, AT [1 ]
LOEW, GH [1 ]
机构
[1] SRI INT,DIV POLYMER SCI,MENLO PK,CA 94025
关键词
D O I
10.1021/j100229a029
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:1081 / 1085
页数:5
相关论文
共 26 条
[1]  
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[2]   GROUND-STATES OF MOLECULES .51. MNDO (MODIFIED NEGLECT OF DIATOMIC OVERLAP) CALCULATIONS OF KINETIC ISOTOPE EFFECTS [J].
BROWN, SB ;
DEWAR, MJS ;
FORD, GP ;
NELSON, DJ ;
RZEPA, HS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (25) :7832-7836
[3]  
DALY J, 1971, HDB EXPT PHARMAKOLOG, V28, P285
[4]   THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS [J].
DEWAR, MJS ;
FORD, GP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8343-8344
[5]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[6]   THEORETICAL-STUDY OF ELECTROPHILIC ADDITION - O(3P)+C2H4 [J].
DUPUIS, M ;
WENDOLOSKI, JJ ;
TAKADA, T ;
LESTER, WA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (01) :481-487
[7]  
FLANIGAN MC, 1977, MODERN THEORETICAL C, V8, P1
[8]   KINETICS OF HEPATIC CYTOCHROME P-450-DEPENDENT MONO-OXYGENASE SYSTEMS [J].
GANDER, JE ;
MANNERING, GJ .
PHARMACOLOGY & THERAPEUTICS, 1980, 10 (02) :191-221
[9]  
Herron J. T., 1973, Journal of Physical and Chemical Reference Data, V2, P467, DOI 10.1063/1.3253125
[10]   THEORETICAL PRE-EXPONENTIAL FACTORS FOR 12 BIMOLECULAR REACTIONS [J].
HERSCHBACH, DR ;
JOHNSTON, HS ;
PITZER, KS ;
POWELL, RE .
JOURNAL OF CHEMICAL PHYSICS, 1956, 25 (04) :736-741