A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction

Theoretical Chemistry Accounts

Volumn 118, Issue 1, 2007, Pages 219-240

  Altoè, Piero ^a,b   Stenta, Marco ^a   Bottoni, Andrea ^a   Garavelli, Marco ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b INSTM   (Italy)

Author keywords

Enzymatic processes; QM MM; Reaction mechanisms; Solvation; Spectroscopy; Super supra molecules

Indexed keywords

EID: 34547248643     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0275-9     Document Type: Article

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