ONIOM study on the equilibrium geometries of some cyclopeptides

Journal of Molecular Structure: THEOCHEM

Volumn 634, Issue 1-3, 2003, Pages 181-186

  Ferrante, Francesco ^a   La Manna, Gianfranco ^a  

^a UNIVERSITY OF PALERMO   (Italy)

Author keywords

Cyclopeptides; DFF calculation; ONIOM method

Indexed keywords

ALPHA AMINOPENTANOIC ACID; CYCLOPEPTIDE; UNCLASSIFIED DRUG; VALERIC ACID DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; EQUILIBRIUM CONSTANT; GEOMETRY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; THEORY;

EID: 0041375569     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00340-3     Document Type: Article

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