THE ELECTRONIC-STRUCTURE OF FLAVIN DERIVATIVES .1. ABINITIO CALCULATIONS FOR 1H-ALLOXAZINE AND 10H-ISOALLOXAZINE, THEIR REDUCED DERIVATIVES AND RELATED-COMPOUNDS - ASSIGNMENTS OF PHOTOELECTRON-SPECTRA

被引:37
作者
PALMER, MH [1 ]
SIMPSON, I [1 ]
PLATENKAMP, RJ [1 ]
机构
[1] STATE UNIV LEIDEN,HUYGENS LAB,LEIDEN,NETHERLANDS
关键词
D O I
10.1016/0022-2860(80)80179-7
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
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页码:243 / 263
页数:21
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共 62 条
[1]   CRYSTAL AND MOLECULAR-STRUCTURE OF 2 MODELS OF CATALYTIC FLAVO(CO)ENZYME INTERMEDIATES [J].
BOLOGNESI, M ;
GHISLA, S ;
INCOCCIA, L .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1978, 34 (MAR) :821-828
[2]   APPLICATIONS OF PHOTOELECTRON SPECTROSCOPY .29. PHOTOELECTRON SPECTRA OF AZABENZENES AND AZANAPHTHALENES .2. REINVESTIGATION OF AZANAPHTHALENES BY HIGH-RESOLUTION PHOTOELECTRON SPECTROSCOPY [J].
BROGLI, F ;
HEILBRON.E ;
KOBAYASH.T .
HELVETICA CHIMICA ACTA, 1972, 55 (01) :274-&
[3]   RADICAL MECHANISMS FOR 1,5-DIHYDRO-5-METHYLFLAVINE REDUCTION OF CARBONYL-COMPOUNDS [J].
BRUICE, TC ;
YANO, Y .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (18) :5263-5271
[4]  
BRUICE TC, 1976, FLAVINS FLAVOPROTEIN, P244
[5]   CONFORMATION, UV-ABSORPTION SPECTRA AND PHOTOELECTRON-SPECTRA OF PHENOXACHALCOGENINS [J].
COLONNA, FP ;
DISTEFANO, G ;
GALASSO, V ;
IRGOLIC, KJ ;
KING, CE ;
PAPPALARDO, GC .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1978, 146 (03) :235-244
[6]  
COOK MJ, 1974, J CHEM SOC P2, P1652
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[8]   CONFORMATIONS AND ELECTRONIC-STRUCTURES OF OXIDIZED AND REDUCED ISOALLOXAZINE [J].
DIXON, DA ;
LINDNER, DL ;
BRANCHAUD, B ;
LIPSCOMB, WN .
BIOCHEMISTRY, 1979, 18 (26) :5770-5775
[9]   PHOTOELECTRON-SPECTROSCOPY OF SOME BIOLOGICAL MOLECULES [J].
DOUGHERTY, D ;
YOUNATHAN, ES ;
VOLL, R ;
ABDULNUR, S ;
MCGLYNN, SP .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1978, 13 (06) :379-393
[10]   PHOTOELECTRON-SPECTROSCOPY OF CARBONYLS - UREAS, URACILS, AND THYMINE [J].
DOUGHERTY, D ;
WITTEL, K ;
MEEKS, J ;
MCGLYNN, SP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (13) :3815-3820