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：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1989年 / 36卷 / 06期
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
  • [31] Penetration of electrostatic fields and potentials through meshes, grids, or gauzes
    Read, FH
    Bowring, NJ
    Bullivant, PD
    Ward, RRA
    REVIEW OF SCIENTIFIC INSTRUMENTS, 1998, 69 (05): : 2000 - 2006
  • [32] Gradient-based fitting of empirical potentials in the presence of a distributed multipole electrostatic model
    Willock, DJ
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1996, 73 (01): : 127 - 138
  • [33] A point-charge model for electrostatic potentials based on a local projection of multipole moments
    Gilbert, A. T. B.
    Gill, P. M. W.
    MOLECULAR SIMULATION, 2006, 32 (15) : 1249 - 1253
  • [34] Mixed QM/MM molecular electrostatic potentials
    Begoña Hernández
    F. Javier Luque
    Modesto Orozco
    Journal of Computer-Aided Molecular Design, 2000, 14 : 329 - 339
  • [35] Conformational dependence of molecular surface electrostatic potentials
    Murray, JS
    Peralta-Inga, Z
    Politzer, P
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 75 (03) : 267 - 273
  • [36] Molecular electron densities and electrostatic potentials - Foreword
    Gadre, SR
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (04)
  • [37] Molecular electrostatic potentials and hydrogen bonding in α-, β-, and γ-cyclodextrins
    Pinjari, Rahul V.
    Joshi, Kaustubh A.
    Gejji, Shridhar P.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (48): : 13073 - 13080
  • [38] COMPUTING MOLECULAR ELECTROSTATIC POTENTIALS WITH THE PRISM ALGORITHM
    JOHNSON, BG
    GILL, PMW
    POPLE, JA
    FOX, DJ
    CHEMICAL PHYSICS LETTERS, 1993, 206 (1-4) : 239 - 246
  • [39] Molecular electrostatic potentials and electron densities in nitroazacubanes
    Dhumal, NR
    Patil, UN
    Gejji, SP
    JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (02): : 749 - 755
  • [40] Mixed QM/MM molecular electrostatic potentials
    Hernández, B
    Luque, FJ
    Orozco, M
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2000, 14 (04) : 329 - 339
12345