The relationship of charge transfer complexes to frontier orbital energies in QSAR

被引：0
|
作者：
Clare, B. W.
机构：
来源：
Journal of Molecular Structure | 1995年 / 331卷 / 1-2期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] THE RELATIONSHIP OF CHARGE-TRANSFER COMPLEXES TO FRONTIER ORBITAL ENERGIES IN QSAR
    CLARE, BW
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 331 (1-2): : 63 - 78
  • [2] CHARGE-TRANSFER COMPLEXES AND FRONTIER ORBITAL ENERGIES IN QSAR - A CONGENERIC SERIES OF ELECTRON-ACCEPTORS
    CLARE, BW
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 337 (02): : 139 - 150
  • [3] Applications of frontier molecular orbital energies in QSAR studies
    Huang, Q
    Kong, L
    Wang, L
    BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, 1996, 56 (05) : 758 - 765
  • [4] MOLECULAR ORBITAL THEORY OF ELECTRON DONOR-ACCEPTOR COMPLEXES .3. RELATIONSHIP OF STATE ENERGIES AND STABILIZATION ENERGIES TO CHARGE-TRANSFER TRANSITION ENERGY
    FLURRY, RL
    POLITZER, P
    JOURNAL OF PHYSICAL CHEMISTRY, 1969, 73 (08): : 2787 - &
  • [5] Lowering the frontier orbital energies of ullazines
    Stephenson, G. Richard
    CHEMISTRY & INDUSTRY, 2021, 85 (12) : 41 - 41
  • [6] Machine Learning Frontier Orbital Energies of Nanodiamonds
    Kirschbaum, Thorren
    Dzubiella, Joachim
    Bande, Annika
    Noe, Frank
    von Seggern, Boerries
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 19 (14) : 4461 - 4473
  • [7] Hammett neural networks: Prediction of frontier orbital energies of tungsten-benzylidyne photoredox complexes
    Chang, Alexander
    Freeze, Jessica
    Batista, Victor
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [8] Hammett neural networks: prediction of frontier orbital energies of tungsten-benzylidyne photoredox complexes
    Chang, Alexander M.
    Freeze, Jessica G.
    Batista, Victor S.
    CHEMICAL SCIENCE, 2019, 10 (28) : 6844 - 6854
  • [9] Orbital energies and charge densities in borazine
    Boyd, R. J.
    Lo, D. H.
    Whitehead, M. A.
    CHEMICAL PHYSICS LETTERS, 1968, 2 (04) : 227 - 229
  • [10] Relationship of mineralization of amino naphthalene sulfonic acids by Fenton oxidation and frontier molecular orbital energies
    Liu, Huanhuan
    Chen, Quanyuan
    Zhang, Shenghan
    Li, Xinying
    CHEMICAL ENGINEERING JOURNAL, 2014, 247 : 275 - 282
12345