GROUP CONTRIBUTIONS TO ELECTROSTATIC MOLECULAR POTENTIAL

被引：59
|
作者：
BONACCORSI, R [1 ]
SCROCCO, E [1 ]
TOMASI, J [1 ]
机构：
[1] CNR,CHIM QUANT & ENERGETICA MOLEC,I-56100 PISA,ITALY
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 14期
关键词：
D O I：
10.1021/ja00430a005
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：4049 / 4054
页数：6
相关论文
共 50 条
  • [31] THE MOLECULAR INTERACTION GROUP CONTRIBUTIONS FOR DIELECTRIC SOLVENTS
    WU, RS
    LEE, LL
    FLUID PHASE EQUILIBRIA, 1993, 82 : 389 - 396
  • [32] MOLECULAR ELECTROSTATIC POTENTIAL MAPPING USING A DIPOLE
    KUMAR, A
    MISHRA, PC
    PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 1987, 99 (1-2): : 113 - 118
  • [33] ELECTROSTATIC MOLECULAR POTENTIAL USED FOR INTERPRETATION OF SOME MOLECULAR PROPERTIES
    ALAGONA, G
    BONACCOR.R
    CIMIRAGL.R
    SCROCCO, E
    TOMASI, J
    CHIMICA & L INDUSTRIA, 1971, 53 (10): : 989 - &
  • [34] CONSTRUCTION OF PLANAR REPRESENTATIONS OF A MOLECULAR ELECTROSTATIC POTENTIAL
    KUZNETSOV, PE
    SHCHERBAKOV, AA
    GERR, RG
    JOURNAL OF STRUCTURAL CHEMISTRY, 1989, 30 (02) : 325 - 328
  • [35] Atomic and molecular energies as functionals of the electrostatic potential
    Politzer, P
    THEORETICAL CHEMISTRY ACCOUNTS, 2004, 111 (2-6) : 395 - 399
  • [36] A MOLECULAR ELECTROSTATIC-POTENTIAL STUDY OF ACESULFAME
    VENANZI, TJ
    VENANZI, CA
    ANALYTICA CHIMICA ACTA, 1988, 210 (01) : 213 - 218
  • [37] THE STUDIES ON MOLECULAR ELECTROSTATIC POTENTIAL OF FENTANYL DERIVATIVES
    CHEN, CY
    LI, YL
    CHEN, JS
    REN, JQ
    ACTA CHIMICA SINICA, 1990, 48 (07) : 660 - 665
  • [38] SHAPE GROUP STUDIES OF MOLECULAR SIMILARITY - RELATIVE SHAPES OF VANDERWAALS AND ELECTROSTATIC POTENTIAL SURFACES OF NICOTINIC AGONISTS
    ARTECA, GA
    JAMMAL, VB
    MEZEY, PG
    YADAV, JS
    HERMSMEIER, MA
    GUND, TM
    JOURNAL OF MOLECULAR GRAPHICS, 1988, 6 (01): : 45 - 53
  • [39] Molecular electrostatic potential at the atomic sites in the effective core potential approximation
    Lesiuk, Michal
    Zachara, Janusz
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (07):
  • [40] Molecular connectivity relationships to electrostatic potential derived parameters
    Jalbout, AF
    Zhou, ZY
    Li, X
    Solimannejad, M
    Ma, Y
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 664 : 15 - 19
12345