DERIVING CHEMICAL-PARAMETERS FROM ELECTROSTATIC POTENTIAL MAPS OF MOLECULAR ANIONS

被引：47

作者：

GADRE, SR ^{[1
]}

KOLMEL, C ^{[1
]}

SHRIVASTAVA, IH ^{[1
]}

机构：

[1] UNIV KARLSRUHE,INST PHYS CHEM & ELECTROCHEM,W-7500 KARLSRUHE 1,GERMANY

来源：

INORGANIC CHEMISTRY | 1992年 / 31卷 / 11期

关键词：

D O I：

10.1021/ic00037a051

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

[No abstract available]

引用

页码：2279 / 2281

页数：3

共 50 条

[41] CALCULATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL FROM A MULTIPOLE EXPANSION BASED ON LOCALIZED ORBITALS
LAVERY, R
ETCHEBEST, C
PULLMAN, A
CHEMICAL PHYSICS LETTERS, 1982, 85 (03) : 266 - 270
[42] Sigma-holes from iso-molecular electrostatic potential surfaces
Ryan J. Alaminsky
Jorge M. Seminario
Journal of Molecular Modeling, 2019, 25
[43] Sigma-holes from iso-molecular electrostatic potential surfaces
Alaminsky, Ryan J.
Seminario, Jorge M.
JOURNAL OF MOLECULAR MODELING, 2019, 25 (06)
[44] Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives
Correa, Jose V.
Jaque, Pablo
Olah, Julianna
Toro-Labbe, Alejandro
Geerlings, Paul
CHEMICAL PHYSICS LETTERS, 2009, 470 (4-6) : 180 - 186
[45] Quadrupole Correction: From Molecular Electrostatic Potential to Free Energies of Halogen Bonding
Titov, Oleg I.
Shulga, Dmitry A.
Palyulin, Vladimir A.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (02) : 1159 - 1167
[46] Unraveling pnicogen bonding cooperativity: Insights from molecular electrostatic potential analysis
Krishnapriya, Vilakkathala U.
Suresh, Cherumuttathu H.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2024, 45 (08) : 461 - 475
[47] ELECTROSTATIC MOLECULAR-POTENTIAL CONTOUR MAPS AROUND CARCINOGENS, THEIR METABOLITES, SUSPECTED TERATOGENS AND OTHER BIOLOGICALLY SIGNIFICANT MOLECULES
KAUFMAN, JJ
HARIHARAN, PC
SOKALSKI, WA
PETRANGOLO, C
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1980, 179 (MAR): : 162 - PHYS
[48] Topographical Analysis of Molecular Electrostatic Potential and Electron Density for Electron Distribution and Chemical Bonding in Polyacetylene Oligomers
Rathod, V. Pallavi
Pawar, C. Ulka
Pingale, S. Subhash
ADVANCED SCIENCE LETTERS, 2015, 21 (09) : 2794 - 2797
[49] INVESTIGATION OF REACTIVITY OF IONOL BY QUANTUM-CHEMICAL METHODS - INDO, MINDO/3, AND MOLECULAR ELECTROSTATIC POTENTIAL
LUZHKOV, VB
ISICHENKO, TS
BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1984, 33 (09): : 1857 - 1860
[50] Model Based Inversion for Deriving Maps of Histological Parameters Characteristic of Cancer From Ex-Vivo Multispectral Images of the Colon
Claridge, Ela
Hidovic-Rowe, Dzena
IEEE TRANSACTIONS ON MEDICAL IMAGING, 2014, 33 (04) : 822 - 835

← 1 2 3 4 5 →