Ab initio calculations of substituent constants: A reinvestigation

Journal of Molecular Structure: THEOCHEM

Volumn 397, Issue 1-3, 1997, Pages 231-238

  Exner, Otto ^a   Ingr, Marek ^b   Čársky, Petr ^b  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

Ab initio calculations; Electronegativity; Inductive effect; Polarizability; Resonance; Substituent effects

Indexed keywords

EID: 0000216589     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04891-9     Document Type: Article

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