MOLECULAR-ORBITAL CALCULATION OF HYPERFINE INTERACTIONS, ELECTRIC-FIELD GRADIENT AND QUADRUPOLE SPLITTING IN REDUCED RUBREDOXINS

被引：10

作者：

LOEW, GH ^{[1
]}

LO, DY ^{[1
]}

机构：

[1] STANFORD UNIV,SCH MED,DEPT GENET,STANFORD,CA 94305

来源：

THEORETICA CHIMICA ACTA | 1974年 / 32卷 / 03期

关键词：

D O I：

10.1007/BF00527477

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：217 / 226

页数：10

共 11 条

[1] EXTENDED HUCKEL TREATMENT OF FE57M NUCLEAR QUADRUPOLE INTERACTION IN HEMIN [J].

HAN, PS ;

RETTIG, MF ;

IKENBERR.D ;

DAS, TP .

THEORETICA CHIMICA ACTA, 1971, 22 (03) :261-&

[2]

JENSEN LH, 1972, PRIVATE COMMUNICATIO

[3]

LOEW GH, TO BE PUBLISHED

[4] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840

[5] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .4. BONDING AND ANTIBONDING IN LCAO AND VALENCE-BOND THEORIES [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) :2343-2346

[6] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .3. EFFECTS OF HYBRIDIZATION ON OVERLAP AND GROSS AO POPULATIONS [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) :2338-2342

[7] PROTON MAGNETIC RESONANCE, MAGNETIC SUSCEPTIBILITY AND MOSSBAUER STUDIES OF CLOSTRIDIUM-PASTEURIANUM RUBREDOXIN [J].

PHILLIPS, WD ;

POE, M ;

WEIHER, JF ;

MCDONALD, CC ;

LOVENBERG, W .

NATURE, 1970, 227 (5258) :574-+

[8]

RAO KK, 1972, BIOCHEM J, V129

[9] CALCULATION OF HYPERFINE FIELD AND QUADRUPOLE SPLITTING IN FERRIPROTOPORPHYRIN 9 CHLORIDE (HEMIN) [J].

RETTIG, MF ;

HAN, PS ;

DAS, TP .

THEORETICA CHIMICA ACTA, 1968, 12 (02) :178-&

[10] PORPHYRINS .4. EXTENDED HUCKEL CALCULATIONS ON TRANSITION METAL COMPLEXES [J].

ZERNER, M ;

GOUTERMA.M .

THEORETICA CHIMICA ACTA, 1966, 4 (01) :44-&

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