Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic ester

Journal of Computational Chemistry

Volumn 20, Issue 8, 1999, Pages 886-895

  Lensink, Marc F ^a,b   Mavri, Janez ^b,c   Berendsen, Herman J C ^b  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

^c NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

Ester hydrolysis; Molecular dynamics; Nonadiabatic quantum dynamics; Proton transfer

Indexed keywords

EID: 0002847516     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199906)20:8<886::AID-JCC13>3.0.CO;2-J     Document Type: Article

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