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
收藏
页码：2279 / 2281
页数：3
相关论文
共 50 条
  • [1] Deriving of electrostatic potential maps and use of these as a means to predict reactivities between species
    Bagga, Kishore
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [2] MOLECULAR CONNECTIVITY INDEXES AS STRUCTURE CHEMICAL-PARAMETERS OF SUBSTANCES WITH ECOTOXICOLOGICAL RELEVANCE
    KOCH, R
    ACTA HYDROCHIMICA ET HYDROBIOLOGICA, 1983, 11 (05): : 511 - 522
  • [3] Deriving Static Atomic Multipoles from the Electrostatic Potential
    Kramer, Christian
    Bereau, Tristan
    Spinn, Alexander
    Liedl, Klaus R.
    Gedeck, Peter
    Meuwly, Markus
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 53 (12) : 3410 - 3417
  • [4] CRITICAL DIFFERENCES OF CLINICAL CHEMICAL-PARAMETERS IN BLOOD FROM DOGS
    JENSEN, AL
    AAES, H
    RESEARCH IN VETERINARY SCIENCE, 1993, 54 (01) : 10 - 14
  • [5] USING MOLECULAR ELECTROSTATIC POTENTIAL MAPS FOR SIMILARITY STUDIES
    TASI, G
    PALINKO, I
    MOLECULAR SIMILARITY II, 1995, 174 : 45 - 71
  • [6] NONEXISTENCE OF LOCAL MAXIMA IN MOLECULAR ELECTROSTATIC POTENTIAL MAPS
    GADRE, SR
    PATHAK, RK
    PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 1990, 102 (02): : 189 - 192
  • [7] SOME PHYSICAL AND CHEMICAL-PARAMETERS OF TRANSFERRIN FROM RAT SERUM
    BUGLANOV, AA
    ASLANOV, CA
    SALICHOV, TA
    KHIMIYA PRIRODNYKH SOEDINENII, 1980, (01): : 89 - 92
  • [8] Analysis of the properties of carbon nanotubes from distribution maps of molecular electrostatic potential
    Datsyuk A.M.
    Gromovoi T.Yu.
    Lobanov V.V.
    Theoretical and Experimental Chemistry, 2004, 40 (5) : 277 - 280
  • [9] ABINITIO QUANTUM CHEMICAL CALCULATIONS AND ELECTROSTATIC MOLECULAR-POTENTIAL CONTOUR MAPS FOR THE MECHANISM OF CATIONIC POLYMERIZATION
    KAUFMAN, JJ
    TOBIN, FL
    HARIHARAN, PC
    MILLER, RS
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1981, 26 (04): : 548 - 548
  • [10] A GENERAL PARALLEL ALGORITHM FOR THE GENERATION OF MOLECULAR ELECTROSTATIC POTENTIAL MAPS
    GADRE, SR
    BAPAT, SV
    SUNDARARAJAN, K
    SHRIVASTAVA, IH
    CHEMICAL PHYSICS LETTERS, 1990, 175 (04) : 307 - 312
12345