Role of the axial ligand in determining the spin state of resting cytochrome P450

被引：77

作者：

Green, MT

机构：

[1] Univ Chicago, Dept Chem, Chicago, IL 60637 USA

[2] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 120卷 / 41期

关键词：

D O I：

10.1021/ja980994h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：10772 / 10773

页数：2

共 15 条

[1] Local density functional study of oxoiron(IV) porphyrin complexes and their one-electron oxidized derivatives. Axial ligand effects [J].

Antony, J ;

Grodzicki, M ;

Trautwein, AX .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (14) :2692-2701

[2]

BAUSCHLICHER CW, 1997, RECENT ADV DENSITY F, V2

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

BECKE, AD .

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

[4]

BEETLESTONE J., 1964, BIO CHEMISTRY, V3, P707, DOI 10.1021/bi00893a019

[5] ROLE OF AXIAL LIGAND IN THE ELECTRONIC-STRUCTURE OF MODEL COMPOUND-I COMPLEXES [J].

DU, P ;

LOEW, GH .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 44 (02) :251-261

[6]

Frisch M.J., 2016, GAUSSIAN 16

[7] Structure and spectra of ferrous dioxygen and reduced ferrous dioxygen model cytochrome P450 [J].

Harris, D ;

Loew, G ;

Waskell, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (18) :4308-4318

[8] DETERMINANTS OF THE SPIN-STATE OF THE RESTING STATE OF CYTOCHROME-P450CAM [J].

HARRIS, D ;

LOEW, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (19) :8775-8779

[9]

KITAGAWA T, 1993, CYTOCHROME P450, P38

[10] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .1. PHYSICAL INTERPRETATIONS BY MEANS OF DENSITY MATRICES, NATURAL SPIN-ORBITALS, AND CONVERGENCE PROBLEMS IN THE METHOD OF CONFIGURATIONAL INTERACTION [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1474-1489

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