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Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculations |
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| Authors: | Blumberger Jochen Ensing Bernd Klein Michael L |
| Affiliation: | Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, PA 19104-6323, USA. jochen@cmm.upenn.edu |
| Abstract: | |
| Keywords: | ab initio calculations hydrolysis reaction mechanisms solvent effects thermodynamics |
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