Implementation of the IMOMM methodology for performing combined QM/MM molecular dynamics simulations and frequency calculations

Theoretical Chemistry Accounts

Volumn 100, Issue 5-6, 1998, Pages 307-313

  Woo, Tom K ^a   Cavallo, Luigi ^b   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

Frequencies; Macromolecular systems; Molecular dynamics; Molecular mechanics; Quantum mechanics

Indexed keywords

EID: 0032509281     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050391     Document Type: Article

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