ELECTRONIC-STRUCTURE OF PERACIDS - FUNCTIONAL MODELS FOR CYTOCHROME-P-450

被引：27

作者：

HJELMELAND, LM ^{[1
]}

LOEW, G ^{[1
]}

机构：

[1] STANFORD MED CTR, DEPT GENET, STANFORD, CA 94305 USA

来源：

TETRAHEDRON | 1977年 / 33卷 / 09期

关键词：

D O I：

10.1016/0040-4020(77)80221-4

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：1029 / 1036

页数：8

共 34 条

[1] 1,1- OR 1,3-ADDITION MECHANISM OF OLEFIN EPOXIDATION WITH ORGANIC PEROXY ACIDS . A MOLECULAR ORBITAL STUDY [J].

AZMAN, A ;

BORSTNIK, B ;

PLESNICA.B .

JOURNAL OF ORGANIC CHEMISTRY, 1969, 34 (04) :971-&

[2] A KINETIC AND ISOTOPIC STUDY OF DECOMPOSITION OF MONOPEROXYPHTHALIC ACID [J].

BALL, RE ;

EDWARDS, JO ;

HAGGETT, ML ;

JONES, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (10) :2331-&

[3] CRYSTAL STRUCTURE OF PEROXYPELARGONIC ACID [J].

BELITSKU.D ;

JEFFREY, GA .

ACTA CRYSTALLOGRAPHICA, 1965, 18 :458-&

[4] COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL [J].

CLEMENTI, E .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1972, 69 (10) :2942-&

[5] HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE [J].

DUNNING, TH ;

WINTER, NW .

CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :194-&

[6] TRANSITION-STATE STRUCTURE FOR PERACID EPOXIDATION - SECONDARY DEUTERIUM-ISOTOPE EFFECTS [J].

HANZLIK, RP ;

SHEARER, GO .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (18) :5231-5233

[7] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+

[9] MINDO-3 - EVALUATION OF ITS USEFULNESS AS A STRUCTURAL THEORY [J].

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (18) :5308-5310

[10] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

STEWART, RF ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2769-+

← 1 2 3 4 →