Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculations.
Blumberger
Jochen
J
Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, PA 19104-6323, USA. jochen@cmm.upenn.edu
Ensing
Bernd
B
Klein
Michael L
ML
D000468:Alkalies / Q000737:chemistry*; D003198:Computer Simulation; D005559:Formamides / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D006868:Hydrolysis; D008958:Models, Molecular; D015394:Molecular Structure; D012996:Solutions / Q000737:chemistry; D012997:Solvents
D000468:Alkalies; D005559:Formamides; D012996:Solutions; D012997:Solvents; C031066:formamide