The Ability of the Semiempirical PM3 Method to Model Proton Transfer Reactions in Symmetric Hydrogen Bonded Systems

Molecular modeling annual

Volumn 1, Issue 2, 1995, Pages 68-78

  Kallies, Bernd ^a   Mitzner, Rolf ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Keywords Hydrogen bond, proton tranfer reaction, potential energy hypersurface, MO calculation, PM3

Indexed keywords

EID: 0013677216     PISSN: 0949183X     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s0089450010068     Document Type: Article

References (0)