ELECTROSTATIC POTENTIALS AS DESCRIPTORS OF MOLECULAR REACTIVITY - ANALYSIS OF SOME CORRECT PREDICTIONS

被引：0
|
作者：
WEINSTEIN, H [1 ]
OSMAN, R [1 ]
TOPIOL, S [1 ]
机构：
[1] CUNY MT SINAI SCH MED,NEW YORK,NY 10029
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1980年 / 179卷 / MAR期
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：94 / PHYS
相关论文
共 50 条
  • [41] 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
  • [42] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR ELECTROSTATIC POTENTIALS
    MO, O
    YANEZ, M
    THEORETICA CHIMICA ACTA, 1978, 47 (04): : 263 - 273
  • [43] 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
  • [44] 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
  • [45] Molecular electrostatic potentials and electron densities in nitrotriprismanes
    Joshi, KA
    Gejji, SP
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 724 (1-3): : 87 - 93
  • [46] 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
  • [47] 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
  • [48] AN ANALYSIS OF MOLECULAR ELECTROSTATIC POTENTIALS OBTAINED BY A LOCAL DENSITY FUNCTIONAL-APPROACH
    MURRAY, JS
    SEMINARIO, JM
    CONCHA, MC
    POLITZER, P
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 44 (02) : 113 - 122
  • [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] QSPR studies on the physicochemical properties of polycyclic aromatic hydrocarbons - The application of theoretical descriptors derived from electrostatic potentials on molecular surface
    Zou, JW
    Zhang, B
    Hu, GX
    Shang, ZC
    Yu, QS
    ACTA CHIMICA SINICA, 2004, 62 (03) : 241 - 246
12345