FUKUI FUNCTION - SPIN-DENSITY AND CHEMICAL-REACTIVITY

被引：25
作者：
GALVAN, M
GAZQUEZ, JL
VELA, A
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 04期
关键词：
D O I：
10.1063/1.451083
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：2337 / 2338
页数：2
相关论文
共 50 条
  • [1] RELAXED FUKUI FUNCTION INDEXES AND THEIR APPLICATION TO CHEMICAL-REACTIVITY PROBLEMS
    KORCHOWIEC, J
    GERWENS, H
    JUG, K
    CHEMICAL PHYSICS LETTERS, 1994, 222 (1-2) : 58 - 64
  • [2] CHEMICAL-REACTIVITY IN SPIN-POLARIZED DENSITY FUNCTIONAL THEORY
    GALVAN, M
    VELA, A
    GAZQUEZ, JL
    JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (22) : 6470 - 6474
  • [3] DENSITY POLARIZATION AND CHEMICAL-REACTIVITY
    NALEWAJSKI, RF
    KONINSKI, M
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1987, 42 (05): : 451 - 462
  • [4] QUALITATIVE CHARGE STABILITY AND FUKUI FUNCTION-ANALYSIS OF A MODEL SYSTEM WITH IMPLICATIONS FOR CHEMICAL-REACTIVITY
    NALEWAJSKI, RF
    JOURNAL OF MOLECULAR CATALYSIS, 1993, 82 (2-3): : 371 - 381
  • [5] Chemical Reactivity of Atrazine Employing the Fukui Function
    Mendoza-Huizar, Luis Humberto
    Rios-Reyes, Clara Hilda
    JOURNAL OF THE MEXICAN CHEMICAL SOCIETY, 2011, 55 (03) : 142 - 147
  • [6] Density functional theory, chemical reactivity, and the Fukui functions
    R. Pucci
    G. G. N. Angilella
    Foundations of Chemistry, 2022, 24 : 59 - 71
  • [7] Density functional theory, chemical reactivity, and the Fukui functions
    Pucci, R.
    Angilella, G. G. N.
    FOUNDATIONS OF CHEMISTRY, 2022, 24 (01) : 59 - 71
  • [8] SYMMETRY OF SPIN-DENSITY PATTERSON FUNCTION
    LITVIN, DB
    ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (NOV1): : 785 - 791
  • [9] THEORY OF SPIN-DENSITY PATTERSON FUNCTION
    WILKINSON, C
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1973, A 29 (JUL1): : 449 - 452
  • [10] Chemical Reactivity of Quinmerac Herbicide Through the Fukui Function
    Humberto Mendoza-Huizar, Luis
    ACTA CHIMICA SLOVENICA, 2014, 61 (04) : 694 - 702
12345