OPEN SHELL SCF MO CI CALCULATION OF SPIN DENSITY DISTRIBUTIONS

被引：49

作者：

HINCHLIFFE, A

机构：

来源：

THEORETICA CHIMICA ACTA | 1966年 / 5卷 / 03期

关键词：

D O I：

10.1007/BF00526934

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

收藏

页码：208 / +

页数：1

相关论文

共 33 条

[1] OPEN- AND CLOSED-SHELL SCF METHOD FOR CONJUGATED SYSTEMS
ADAMS, OW
LYKOS, PG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (04) : 1444 - &
[2] ELECTRON SPIN RESONANCE OF AZULENE ANION RADICALS
BERNAL, I
RIEGER, PH
FRAENKEL, GK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (07) : 1489 - &
[3] SEMIEMPIRICAL SCF CALCULATIONS ON AZULENE AND ITS SINGLY CHARGED IONS
BLOOR, JE
[J]. CANADIAN JOURNAL OF CHEMISTRY, 1965, 43 (11): : 3026 - &
[4] RELATIONSHIP BETWEEN ELECTRON SPIN RESONANCE HYPERFINE SPLITTINGS AND PI-ELECTRON SPIN DENSITIES . A 1ST-ORDER EXCESS CHARGE EFFECT
BOLTON, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (01) : 309 - &
[5] RESONANCE ENERGIES AND CHARGE DISTRIBUTIONS OF UNSATURATED HYDROCARBON RADICALS AND IONS
BRICKSTOCK, A
POPLE, JA
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1954, 50 (09): : 901 - 911
[6] BRILLOUIN L, 1934, 159 ACT SCI IND PAR
[7] SPIN-DENSITY CALCULATIONS FOR AZULENE POSITIVE + NEGATIVE ION RADICALS
BROWN, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (08) : 2223 - &
[8] ELECTRON SPIN RESONANCE SPECTRUM AND SPIN DENSITY DISTRIBUTION OF BENZYL RADICAL
CARRINGT.A
SMITH, ICP
[J]. MOLECULAR PHYSICS, 1965, 9 (02) : 137 - +
[9] UNSTABLE INTERMEDIATES .4. ELECTRON SPIN RESONANCE STUDIES OF UNIVALENT AROMATIC HYDROCARBON IONS
CARRINGTON, A
DRAVNIEKS, F
SYMONS, MCR
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1959, (MAR): : 947 - 952
[10] ELECTRON SPIN RESONANCE SPECTRA OF NITROGEN HETEROCYCLIC RADICAL IONS
CARRINGTON, A
DOSSANTOSVEIGA, J
[J]. MOLECULAR PHYSICS, 1962, 5 (01) : 21 - 29

← 1 2 3 4 →