THE STRUCTURE AND PROPERTIES OF FLAVINS - MOLECULAR-ORBITAL STUDY BASED ON TOTALLY OPTIMIZED GEOMETRIES .1. MOLECULAR-GEOMETRY INVESTIGATIONS

被引：28

作者：

HALL, LH

ORCHARD, BJ

TRIPATHY, SK

机构：

[1] UNIV ILLINOIS,DEPT MATH,CHICAGO,IL 60608

[2] GTE LABS INC,WALTHAM,MA 02254

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1987年 / 31卷 / 02期

关键词：

D O I：

10.1002/qua.560310203

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：195 / 216

页数：22

共 92 条

[1]

Aue D. H., 1979, GAS PHASE ION CHEM, V2

[2]

BEAR CA, 1970, CHEM COMMUN, P702

[3] GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1302-1306

[4] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1307-1311

[5] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1294-1301

[6] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[7] UNRESTRICTED OPEN-SHELL CALCULATIONS BY MINDO-3 - GEOMETRIES AND ELECTRONIC-STRUCTURE OF RADICALS [J].

BISCHOF, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) :6844-6849

[8]

BRAY RC, 1984, FLAVINS FLAVOPROTEIN, pR8

[9] SOME PERTINENT ASPECTS OF MECHANISM AS DETERMINED WITH SMALL MOLECULES [J].

BRUICE, TC .

ANNUAL REVIEW OF BIOCHEMISTRY, 1976, 45 :331-373

[10] AN EXPERIMENTAL DEMONSTRATION OF NUCLEAR MAGNETIC RESONANCE ASSIGNMENTS IN 6,7-DIMETHYLISOALLOXAZINE NUCLEUS [J].

BULLOCK, FJ ;

JARDETZK.O .

JOURNAL OF ORGANIC CHEMISTRY, 1965, 30 (06) :2056-&

← 1 2 3 4 5 6 7 8 9 10 →