ABINITIO STUDIES OF HYDROCARBON PEROXYL RADICALS

被引:47
|
作者
BESLER, BH
SEVILLA, MD
MACNEILLE, P
机构
[1] OAKLAND UNIV, DEPT CHEM, ROCHESTER, MI 48063 USA
[2] FORD MOTOR CO, SCI RES LAB, DEARBORN, MI 48121 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1986年 / 90卷 / 24期
关键词
D O I
10.1021/j100282a009
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:6446 / 6451
页数:6
相关论文
共 50 条
  • [1] ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS
    CHIPMAN, DM
    JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02): : 761 - 768
  • [2] Quantum chemical studies on the thermochemistry of alkyl and peroxyl radicals
    Brinck, T
    Lee, HN
    Jonsson, M
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (35): : 7094 - 7104
  • [3] COMMENT ON ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS
    CHIPMAN, DM
    JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07): : 4785 - 4786
  • [4] ABINITIO STUDIES OF THE STRUCTURE AND THERMOCHEMISTRY OF FO RADICALS
    ZHAO, Y
    FRANCISCO, JS
    CHEMICAL PHYSICS LETTERS, 1990, 167 (04) : 285 - 290
  • [5] SPECTROSCOPIC AND ABINITIO STUDIES OF DIFLUOROMETHYL RADICALS AND CATIONS
    DEARDEN, DV
    HUDGENS, JW
    JOHNSON, RD
    TSAI, BP
    KAFAFI, SA
    JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (02): : 585 - 594
  • [6] Electrophilicity Indices for Peroxyl Radicals
    S. V. Puchkov
    Yu. V. Nepomnyashchikh
    Russian Journal of Physical Chemistry B, 2018, 12 : 904 - 907
  • [8] Electrophilicity Indices for Peroxyl Radicals
    Puchkov, S. V.
    Nepomnyashchikh, Yu. V.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 12 (05) : 904 - 907
  • [9] MECHANISM OF THE RECOMBINATION OF PEROXYL RADICALS
    KHURSAN, SL
    MARTEMYANOV, VS
    DENISOV, ET
    KINETICS AND CATALYSIS, 1990, 31 (05) : 899 - 907
  • [10] ABINITIO STUDIES OF THE STRUCTURES OF PEROXIDES AND PEROXY-RADICALS
    BAIR, RA
    GODDARD, WA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) : 2719 - 2724