AN ANALYTIC METHOD FOR THE CALCULATION OF ELECTROSTATIC MOLECULAR POTENTIALS

被引：18

作者：

RAMOS, MJ ^{[1
]}

WEBSTER, B ^{[1
]}

机构：

[1] UNIV GLASGOW,DEPT CHEM,GLASGOW G12 8QQ,SCOTLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1983年 / 79卷

关键词：

D O I：

10.1039/f29837901389

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1389 / 1398

页数：10

共 50 条

[41] Universal method for computation of electrostatic potentials
Sundholm, D
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (19):
[42] Modeling molecular interactions by analytic potentials: Analytic perturbation treatment
Kryachko, Eugene S.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2012, 112 (18) : 2986 - 2997
[43] A SEMIEMPIRICAL METHOD FOR DETERMINING ELECTROSTATIC POTENTIAL OF MOLECULAR ELECTRON SHELL AT ATOMIC NUCLEI .2. CALCULATION OF POTENTIALS AT NUCLEI IN SOME DIATOMIC MOLECULES
REBANE, TK
OPTICS AND SPECTROSCOPY-USSR, 1964, 17 (06): : 450 - &
[44] Mixed QM/MM molecular electrostatic potentials
Begoña Hernández
F. Javier Luque
Modesto Orozco
Journal of Computer-Aided Molecular Design, 2000, 14 : 329 - 339
[45] Conformational dependence of molecular surface electrostatic potentials
Murray, JS
Peralta-Inga, Z
Politzer, P
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 75 (03) : 267 - 273
[46] Molecular electron densities and electrostatic potentials - Foreword
Gadre, SR
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (04)
[47] 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
[48] 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
[49] Molecular electrostatic potentials and electron densities in nitroazacubanes
Dhumal, NR
Patil, UN
Gejji, SP
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (02): : 749 - 755
[50] Mixed QM/MM molecular electrostatic potentials
Hernández, B
Luque, FJ
Orozco, M
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2000, 14 (04) : 329 - 339

← 1 2 3 4 5 →