ABINITIO MO PREDICTIONS FOR THE GEOMETRIES AND ENERGIES OF THE SIGMA-STATES AND PI-STATES OF SOME CONJUGATED FREE-RADICALS

被引：37

|

作者：

BAIRD, NC

TAYLOR, KF

机构：

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1980年 / 58卷 / 07期

关键词：

D O I：

10.1139/v80-113

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：733 / 738

页数：6

相关论文

共 12 条

[1] RESTRICTED SCF AND MC-SCF STUDY OF THE SIGMA-STATES AND PI-STATES OF THE FORMYLOXYL AND FORMYLAMINYL RADICALS
KIKUCHI, O
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1980, 53 (11) : 3149 - 3153
[2] REEXAMINATION OF THE REACTION OF A GRADED SET OF RADICALS WITH N-BROMOSUCCINIMIDE - A KINETIC ARGUMENT CONCERNING THE PI-STATES AND SIGMA-STATES OF SUCCINIMIDYL
TANNER, DD
MEINTZER, CP
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (23) : 6584 - 6589
[3] GEOMETRY PREDICTIONS FOR CONJUGATED FREE-RADICALS CONTAINING 3 PI- ELECTRONS USING ABINITIO MO THEORY
BAIRD, NC
GUPTA, RR
TAYLOR, KF
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4531 - 4533
[4] PROPERTIES OF THE HYDROGEN MOLECULAR ION .5. TRANSITIONS CONNECTING THE LOWEST EVEN AND LOWEST ODD PI-STATES WITH HIGHER SIGMA-STATES
LEWIS, JT
MCDOWELL, MRC
MOISEIWITSCH, BL
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1955, 68 (07): : 565 - 568
[5] THE PI-ELECTRONIC AND SIGMA-ELECTRONIC STATES OF THE SUCCINIMIDYL RADICAL - CAN NITROGEN CENTERED RADICALS HAVE SIGMA-GROUND STATES - AN ABINITIO STUDY
APELOIG, Y
SCHREIBER, R
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1980, 180 (AUG): : 44 - ORGN
[6] RADIATIVE LIFETIMES OF METASTABLE STATES OF FREE-RADICALS .1. NFB-SIGMA-1+
TENNYSON, PH
FONTIJN, A
CLYNE, MAA
CHEMICAL PHYSICS, 1981, 62 (1-2) : 171 - 177
[7] RADIATIVE LIFETIMES OF METASTABLE STATES OF FREE-RADICALS .2. PF B 1-SIGMA+ AND CO A 3-PI
BURDEN, FR
CLYNE, MAA
FONTIJN, A
CHEMICAL PHYSICS, 1982, 65 (01) : 123 - 127
[8] KINETICS OF THE PHOTOREACTIONS OF SOME ORGANIC FREE-RADICALS AND LIFETIMES OF ELECTRONICALLY EXCITED-STATES
OGINETS, VY
KINETICS AND CATALYSIS, 1985, 26 (05) : 1070 - 1072
[9] ABINITIO CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS - POSSIBILITIES OF SUPERPARAMAGNETIC, MICTOMAGNETIC AND AMORPHOUS FERROMAGNETIC STATES FOR AGGREGATES OF AROMATIC FREE-RADICALS AND POLYMER RADICALS
YAMAGUCHI, K
NAMIMOTO, H
FUENO, T
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1989, 176 : 151 - 161
[10] ABINITIO AND CONFIGURATION-INTERACTION CALCULATIONS FOR SOME SIGMA-]PI-STAR SUPEREXCITED STATES OF THE TRANS-1,3-BUTADIENE MOLECULE
DASILVA, EC
NASCIMENTO, MAC
CHEMICAL PHYSICS LETTERS, 1987, 138 (06) : 509 - 511