COMMENT ON ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS

被引：28
|
作者：
CHIPMAN, DM
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 07期
关键词：
D O I：
10.1063/1.445283
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：4785 / 4786
页数：2
相关论文
共 50 条
  • [31] ABINITIO STUDIES OF HYDROCARBON PEROXYL RADICALS
    BESLER, BH
    SEVILLA, MD
    MACNEILLE, P
    JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (24): : 6446 - 6451
  • [32] SPIN-DENSITIES IN WALLER-HARTREE SPIN-FREE METHOD
    LIM, TK
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (03) : 489 - 493
  • [33] SPIN-DENSITIES IN COPPER-NITRONYL NITROXIDE COMPLEXES
    BOUCHERLE, JX
    RESSOUCHE, E
    SCHWEIZER, J
    GILLON, B
    REY, P
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1993, 48 (1-2): : 120 - 122
  • [34] EXPERIMENTAL AND THEORETICAL SPIN-DENSITIES IN 2 ALKYL NITROXIDES
    BORDEAUX, D
    BOUCHERLE, JX
    DELLEY, B
    GILLON, B
    RESSOUCHE, E
    SCHWEIZER, J
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1993, 48 (1-2): : 117 - 119
  • [35] CHARGE AND SPIN-DENSITIES MEASURED WITH POSITIVE MUONS IN METALS
    MEIER, PF
    HELVETICA PHYSICA ACTA, 1976, 49 (02): : 148 - 148
  • [36] ABINITIO CALCULATION OF DEFORMATION DENSITIES IN PORPHYRINS
    BENARD, M
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1982, 21 (11): : 868 - 869
  • [37] MOLECULAR-ORBITAL CALCULATION OF STRUCTURES AND SPIN-DENSITIES OF ASCL-/3 AND ASF-/3
    MEHROTRA, PK
    CHANDRASEKHAR, J
    SUBRAMANIAN, S
    MANOHARAN, PT
    CHEMICAL PHYSICS LETTERS, 1974, 28 (03) : 402 - 406
  • [38] CALCULATION OF UNPAIRED ELECTROM SPIN DENSITIES IN SOME SUBSTITUTED METHYL RADICALS
    RAO, AS
    INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1965, 3 (11) : 457 - &
  • [39] CALCULATION OF BOND LENGTHS AND SPIN-DENSITIES IN TETRAHYDRONAPHTHALENE AND ITS RADICAL-ANION BY VARIOUS SEMIEMPIRICAL METHODS
    ELORANTA, J
    NYRONEN, T
    FINNISH CHEMICAL LETTERS, 1974, (05): : 193 - 195
  • [40] COMMENT ON ZHAO ABINITIO CALCULATION
    KUANG, XY
    CHEN, ZH
    JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (12): : 2421 - 2423
12345