Modeling β-lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods

Journal of Computational Chemistry

Volumn 20, Issue 13, 1999, Pages 1401-1411

  Pitarch, Jesús ^a   Pascual Ahuir, Juan Luis ^a   Silla, Estanislao ^a   Tuñón, Iñaki ^a   Ruiz López, Manuel F ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSITÉ DE LORRAINE   (France)

Author keywords

Density functional theory; Molecular dynamics; Quantum mechanics molecular mechanics; Solvent effects; lactams

Indexed keywords

EID: 0001555113     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199910)20:13<1401::AID-JCC7>3.0.CO;2-M     Document Type: Article

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