The semiempirical and DFT methods in studies on geometry and energetics of AMSA isomers: Comparison of m-AMSA and o-AMSA properties

Journal of Molecular Structure: THEOCHEM

Volumn 682, Issue 1-3, 2004, Pages 191-199

  Nowak, Katarzyna ^a   Wysocki, Stanisław ^a  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

4 (9 Acridinylamino) methanesulfon m anisidide; 4 (9 Acridinylamino) methanesulfon m anisidide; Density functional theory; Semiempirical methods

Indexed keywords

AMSACRINE;

ACCURACY; ANALYTIC METHOD; ARTICLE; CHEMICAL PARAMETERS; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; EMPIRICISM; ENERGY TRANSFER; GEOMETRY; ISOMER; MATHEMATICAL MODEL; STRUCTURE ANALYSIS;

EID: 4344661130     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.029     Document Type: Article

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