A SCREENED POTENTIAL MOLECULAR-ORBITAL CALCULATION OF THE PI-ELECTRON SYSTEMS OF METALLOPORPHIN, METALLOCHLORIN, AND METALLOBACTERIOCHLORIN

被引：65

作者：

SEKINO, H ^{[1
]}

KOBAYASHI, H ^{[1
]}

机构：

[1] TOKYO INST TECHNOL, DEPT CHEM, O OKAYAMA, MEGURO KU, TOKYO 152, JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 09期

关键词：

D O I：

10.1063/1.452681

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

页码：5045 / 5052

页数：8

共 75 条

[1]

Adar F, 1978, PORPHYRINS A, V3, P167

[2] AB-INITIO CALCULATIONS ON PORPHIN [J].

ALMLOF, J .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) :915-924

[3] ELECTRONIC-STRUCTURE OF FREE-BASE AND TRANSITION-METAL TETRAAZAPORPHYRINS [J].

BERKOVITCHYELLIN, Z ;

ELLIS, DE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (20) :6066-6073

[4] XALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER PORPHINE [J].

CASE, DA ;

KARPLUS, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (19) :6182-6194

[5] BINDING OF OXYGEN AND CARBON-MONOXIDE TO HEMOGLOBIN - ANALYSIS OF THE GROUND AND EXCITED-STATES [J].

CASE, DA ;

HUYNH, BH ;

KARPLUS, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) :4433-4453

[6] ELECTRONIC STRUCTURAL-PROPERTIES AND PHOTOSYNTHESIS [J].

CHRISTOFFERSEN, RE .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (03) :573-604

[7] MOLECULAR APPLICATIONS OF A METHOD OF SCREENED EXCHANGE [J].

COOPER, IL ;

LINDERBERG, J .

MOLECULAR PHYSICS, 1973, 25 (02) :265-279

[8]

DEDIEU A, 1979, NOUV J CHIM, V3, P653

[9] OXYGEN BINDING TO IRON PORPHYRINS - AB-INITIO CALCULATION [J].

DEDIEU, A ;

ROHMER, MM ;

BENARD, M ;

VEILLARD, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (12) :3717-3818

[10] LOW-ENERGY ELECTRON-IMPACT STUDY OF FIRST, SECOND, AND THIRD TRIPLET STATES OF BENZENE [J].

DOERING, JP .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) :2866-&

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