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International Journal of Quantum Chemistry

Volumn 89, Issue 3, 2002, Pages 135-146

Molecular structure, conformational analysis and charge distribution of pralidoxime: Ab initio and DFT studies

(2) Castro, Alexandre T a Figueroa Villar, Jose D a,b

a Instituto de Projetos Especiais (Brazil)

b MILITARY INSTITUTE OF ENGINEERING (Brazil)

Author keywords

Ab initio; B3LYP; Charge distribution; Conformational analysis; Pralidoxime

Indexed keywords

CONFORMATIONS; MOLECULES; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION;

CHARGE DENSITY; CHARGE DISTRIBUTION; CONFORMATIONAL ANALYSIS; DENSITY FUNCTIONAL THEORY; ORGANOPHOSPHATE INTOXICATION; PRALIDOXIME;

MOLECULAR STRUCTURE;

EID: 0037102534 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10302 Document Type: Article

Times cited : (33)

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