Car-Parrinello molecular dynamics simulation of base-catalyzed amide hydrolysis in aqueous solution

Chemical Physics Letters

Volumn 383, Issue 1-2, 2004, Pages 134-137

  Zahn, Dirk ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; CARBOXYLIC ACID; HYDROXIDE; N METHYLACETAMIDE; NITROGEN;

AQUEOUS SOLUTION; ARTICLE; CATALYSIS; DISSOCIATION; ELECTRONICS; HYDROLYSIS; MOLECULAR DYNAMICS; PROTON TRANSPORT; QUANTUM CHEMISTRY; SIMULATION;

EID: 0348110579     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.015     Document Type: Article

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