RESTRICTED SCF AND MC-SCF STUDY OF THE SIGMA-STATES AND PI-STATES OF THE FORMYLOXYL AND FORMYLAMINYL RADICALS

被引：7

作者：

KIKUCHI, O

机构：

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 1980年 / 53卷 / 11期

关键词：

D O I：

10.1246/bcsj.53.3149

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3149 / 3153

页数：5

共 24 条

[1] PI AND SIGMA STATES OF N-FORMAMIDO RADICAL - AB-INITIO MOLECULAR-ORBITAL STUDY [J].

BAIRD, NC ;

KATHPAL, HB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (24) :7532-7535

[2] DIMERIZATION OF METHYLENES BY THEIR LEAST MOTION, COPLANAR APPROACH - MULTICONFIGURATION SELF-CONSISTENT FIELD STUDY [J].

BASCH, H .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1700-&

[3] 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

[4] AMINYL FREE-RADICALS [J].

DANEN, WC ;

NEUGEBAUER, FA .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1975, 14 (12) :783-789

[5] NEW TECHNIQUES FOR COMPUTATION OF MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) WAVEFUNCTIONS [J].

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1769-&

[6] ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS [J].

FESSENDEN, RW ;

SCHULER, RH .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (09) :2147-&

[7] GENERAL SCF OPERATOR SATISFYING CORRECT VARIATIONAL CONDITION [J].

HIRAO, K ;

NAKATSUI.H .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) :1457-1462

[8] MO-THEORETICAL STUDY OF ELECTRONIC-STRUCTURES OF FORMYLOXYL AND ACETOXYL RADICALS [J].

KIKUCHI, O ;

UTSUMI, K ;

SUZUKI, K .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1977, 50 (05) :1339-1340

[9] RESTRICTED-SCF AND MC-SCF STUDY OF THE C2V AND CS STRUCTURES OF THE ALLYL RADICAL [J].

KIKUCHI, O .

CHEMICAL PHYSICS LETTERS, 1980, 72 (03) :487-488

[10] MOLECULAR-ORBITALS AND O-O CLEAVAGE OF PEROXIDES [J].

KIKUCHI, O .

JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN, 1979, 37 (08) :678-688

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