ELECTRONIC STATES OF DIOXYGEN HEME COMPLEX REVEALED FROM ABINITIO LCAO-SCF-MO CALCULATIONS

被引:18
作者
NOZAWA, T
HATANO, M
NAGASHIMA, U
OBARA, S
KASHIWAGI, H
机构
[1] HOKKAIDO UNIV,FAC SCI,DEPT CHEM,KITA KU,SAPPORO,HOKKAIDO 060,JAPAN
[2] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
关键词
D O I
10.1246/bcsj.56.1721
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1721 / 1727
页数:7
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[41]   STRUCTURE OF OXYMYOGLOBIN [J].
PHILLIPS, SEV .
NATURE, 1978, 273 (5659) :247-248
[42]   CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS [J].
ROOS, B ;
SIEGBAHN, P .
THEORETICA CHIMICA ACTA, 1970, 17 (03) :209-&
[43]   GAUSSIAN BASIS SETS FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS [J].
ROOS, B ;
VEILLARD, A ;
VINOT, G .
THEORETICA CHIMICA ACTA, 1971, 20 (01) :1-&
[44]   HEITLER-LONDON CALCULATION ON BONDING OF OXYGEN TO HEMOGLOBIN .1. SINGLET-STATES IN CASE OF O-O AXIS PARALLEL TO HEME PLANE [J].
SENO, Y ;
OTSUKA, J ;
MATSUOKA, O ;
FUCHIKAMI, N .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1972, 33 (06) :1645-1660
[45]   MOSSBAUER-SPECTROSCOPY OF HEMOGLOBIN MODEL COMPOUNDS - EVIDENCE FOR CONFORMATIONAL EXCITATION [J].
SPARTALIAN, K ;
LANG, G ;
COLLMAN, JP ;
GAGNE, RR ;
REED, CA .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (12) :5375-5382
[46]   The magnetic susceptibility of the iron in ferrohenioglobin [J].
Taylor, DS ;
Coryell, CD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1938, 60 :1177-1181
[47]   NATURE OF IRON-OXYGEN BOND IN OXYHAEMOGLOBIN [J].
WEISS, JJ .
NATURE, 1964, 202 (492S) :83-&
[48]  
WEISS JJ, 1964, NATURE, V202, P183
[49]  
YAMAMOTO T, 1973, J BIOL CHEM, V248, P5211
[50]   PORPHYRINS .8. EXTENDED HUCKEL CALCULATIONS ON IRON COMPLEXES [J].
ZERNER, M ;
GOUTERMA.M ;
KOBAYASH.H .
THEORETICA CHIMICA ACTA, 1966, 6 (05) :363-&