LOCAL SPIN-DENSITY CALCULATIONS OF ANISOTROPIC HYPERFINE CONSTANTS IN ORIENTED FREE-RADICALS

被引：3
|
作者：
KUTZLER, FW [1 ]
WHITE, CT [1 ]
COOK, M [1 ]
机构：
[1] USN, RES LAB, WASHINGTON, DC 20375 USA
来源：
CHEMICAL PHYSICS LETTERS | 1988年 / 147卷 / 2-3期
关键词：
D O I：
10.1016/0009-2614(88)85096-6
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：263 / 268
页数：6
相关论文
共 50 条
  • [31] SPIN-DENSITIES IN FREE-RADICALS
    BROWN, PJ
    CAPIOMONT, A
    GILLON, B
    SCHWEIZER, J
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1979, 14 (2-3) : 289 - 294
  • [32] DISTRIBUTION OF SPIN-DENSITY AND CONSTANTS OF ISOTROPIC SUPERFINE INTERACTIONS IN STABLE NITROXYL RADICALS OF IMIDAZOLE SERIES
    BELCHENKO, OI
    SCHASTNEV, PV
    GRIGOREV, IA
    DIKANOV, SA
    ZHURNAL ORGANICHESKOI KHIMII, 1985, 21 (07): : 1378 - 1388
  • [33] ANISOTROPIC ELECTRON CORRELATION-EFFECTS ON THE SPIN POLARIZATIONS OF RADICALS - SPIN POPULATIONS VS SPIN-DENSITY DIFFERENCE FUNCTIONS
    CHOY, GSC
    GLASER, R
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 239 - PHYS
  • [34] ORIENTED COLLISIONS IN THE RECOMBINATION AND DISPROPORTIONATION OF FREE-RADICALS
    COHEN, LK
    PRITCHARD, HO
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (09): : 2374 - 2377
  • [35] MODIFICATION OF MCLACHLAN METHOD FOR SPIN-DENSITY CALCULATIONS
    DEVOLDER, P
    THEORETICA CHIMICA ACTA, 1975, 39 (03): : 277 - 280
  • [36] OBSERVATIONS ON NITROXYL FREE-RADICALS IN ARYLAMINE CARCINOGENESIS AND ON SPIN-TRAPPING HYDROXYL FREE-RADICALS
    FLOYD, RA
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1982, 60 (12): : 1577 - 1586
  • [37] HEATS OF FORMATION OF OXYGEN-CONTAINING RADICALS FROM LOCAL SPIN-DENSITY COMPUTATIONS
    SICILIA, E
    DIMAIO, FP
    RUSSO, N
    JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (02): : 528 - 530
  • [38] THEORETICAL CALCULATIONS OF THE HYPERFINE COUPLING-CONSTANTS OF ORGANIC RADICALS
    SIEIRO, C
    DELAVEGA, JMG
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1985, 21 (FEB): : 383 - 386
  • [39] Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals
    Chen, Ya Kun
    Fleming, Donald G.
    Wang, Yan Alexander
    JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (13): : 2765 - 2777
  • [40] SPIN-DENSITY DISTRIBUTION IN FREE RADICALS-IX ROLE OF RESONANCE IN TWISTED TRIARYLMETHYLRADICALS
    STEIN, M
    RIEKER, A
    TETRAHEDRON LETTERS, 1975, (25) : 2123 - 2126
12345