A theoretical study on protonation of some halogen substituted pyridine derivatives

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 4, 2007, Pages 740-747

  Ogretir C ^a   Tay, N F ^a   Öztürk, I I ^a  

^a ESKISEHIR OSMANGAZI UNIVERSITY   (Turkey)

Author keywords

Ab initio calculation; Acidity constants; Nucleophilicity; Pyridine derivatives; Substituent constants

Indexed keywords

COMPUTATIONAL METHODS; NUMERICAL METHODS; PROTONATION; SUBSTITUTION REACTIONS;

AB INITIO CALCULATION; ACIDITY CONSTANTS; HARTREE-FOCK(HF); NUCLEOPHILICITY; SUBSISTENT CONSTANTS;

PYRIDINE;

HALOGEN; PYRIDINE DERIVATIVE;

AB INITIO CALCULATION; ACIDITY; ARTICLE; GEOMETRY; HALOGENATION; METHODOLOGY; PRIORITY JOURNAL; PROTON TRANSPORT; SOLVATION; SUBSTITUTION REACTION; THERMODYNAMICS;

HALOGENS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PROTONS; PYRIDINES;

EID: 35348972867     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.04.013     Document Type: Article

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