THE EFFECT OF PENETRATION ON THE MULTIPOLE AND MULTISTREAK EXPANSIONS OF MOLECULAR ELECTROSTATIC POTENTIALS

被引:7
|
作者
BERRONDO, M
EGGLESTON, SW
LARSON, EG
机构
关键词
D O I
10.1002/qua.560360607
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:749 / 764
页数:16
相关论文
共 50 条
  • [41] MAXIMAL AND MINIMAL CHARACTERISTICS OF MOLECULAR ELECTROSTATIC POTENTIALS
    PATHAK, RK
    GADRE, SR
    JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (03): : 1770 - 1773
  • [42] Application of molecular electrostatic potentials in drug design
    Bhosale, Shubhangi S.
    Shaikh, Mushtaque S.
    Coutinho, Evans C.
    Sarah, Anil
    Proceedings of the Indian National Science Academy, 2007, 73 (02): : 91 - 110
  • [43] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR ELECTROSTATIC POTENTIALS
    MO, O
    YANEZ, M
    THEORETICA CHIMICA ACTA, 1978, 47 (04): : 263 - 273
  • [44] Molecular surface electrostatic potentials of anticonvulsant drugs
    Murray, JS
    Abu-Awwad, F
    Politzer, P
    Wilson, LC
    Troupin, AS
    Wall, RE
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 70 (06) : 1137 - 1143
  • [45] 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
  • [46] Molecular electrostatic potentials and electron densities in nitrotriprismanes
    Joshi, KA
    Gejji, SP
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 724 (1-3): : 87 - 93
  • [47] 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
  • [48] 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
  • [49] 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
  • [50] QUANTITATIVE DEMONSTRATION OF DOMAIN OF CONVERGENCE OF MULTIPOLE REPRESENTATIONS OF MOLECULAR POTENTIALS
    PACK, GR
    WANG, H
    REIN, R
    CHEMICAL PHYSICS LETTERS, 1972, 17 (03) : 381 - 384