ELECTROSTATIC MOLECULAR POTENTIALS - MULLIKEN APPROXIMATION

被引:15
|
作者
CARBO, R [1 ]
MARTIN, M [1 ]
机构
[1] INST QUIM SARRIA,DEPT QUIM ORG,SECT QUIM CUANTICA,BARCELONA-17,SPAIN
关键词
D O I
10.1002/qua.560090202
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:193 / 214
页数:22
相关论文
共 50 条
  • [31] Molecular surface electrostatic potentials and anesthetic activity
    Gavin Trogdon
    Jane S. Murray
    Monica C. Concha
    Peter Politzer
    Journal of Molecular Modeling, 2007, 13 : 313 - 318
  • [32] Molecular electrostatic potentials and electron densities in nitrotriprismanes
    Joshi, KA
    Gejji, SP
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 724 (1-3): : 87 - 93
  • [33] Molecular surface electrostatic potentials and anesthetic activity
    Trogdon, Gavin
    Murray, Jane S.
    Concha, Monica C.
    Politzer, Peter
    JOURNAL OF MOLECULAR MODELING, 2007, 13 (02) : 313 - 318
  • [34] AN ANALYTIC METHOD FOR THE CALCULATION OF ELECTROSTATIC MOLECULAR POTENTIALS
    RAMOS, MJ
    WEBSTER, B
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1983, 79 : 1389 - 1398
  • [35] Molecular electrostatic potentials as indicators of covalent radii
    Wiener, JJM
    Grice, ME
    Murray, JS
    Politzer, P
    JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (13): : 5109 - 5111
  • [36] Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials
    Kroemer, Romano T.
    Hecht, Peter
    Liedl, Klaus R.
    John Wiley and Sons Inc., Newark, United States (17):
  • [37] Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and Coulomb potentials
    Kroemer, RT
    Hecht, P
    Liedl, KR
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1996, 17 (11) : 1296 - 1308
  • [38] REMARK ON MULLIKEN APPROXIMATION AND ITS POSSIBLE EXTENSION
    PARKER, GW
    JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06): : 2446 - &
  • [40] Optimal site charge models for molecular electrostatic potentials
    Karamertzanis, PG
    Pantelides, CC
    MOLECULAR SIMULATION, 2004, 30 (07) : 413 - 436