A novel approach to the analysis of substituent effects: Quantitative description of ionization energies and gas basicity of amines

Journal of Molecular Graphics and Modelling

Volumn 17, Issue 1, 1999, Pages 28-42

  Cherkasov, Artem R ^a   Jonsson, Mats ^a   Galkin, Vladimir ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b KAZAN FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

Amines; Bond dissociation enthalpy; Correlation analysis; Electronegativity; Free radicals; Gas basicity; Inductive constants; Ionization energy; QSAR; Steric constants; Substituent effect

Indexed keywords

AMINE;

ALKALINITY; ARTICLE; IONIZATION; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOSPECIFICITY;

AMINES; COMPUTER SIMULATION; ELECTROSTATICS; FREE RADICALS; GASES; SOFTWARE; STATISTICS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0033398685     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(99)00018-2     Document Type: Article

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17. Data taken from NIST Standard Reference Database Number 69 - November 1998 Release.