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Ab initio MD simulations of a prototype of methyl chloride hydrolysis with explicit consideration of three water molecules: a comparison of MD trajectories with the IRC path

✍ Scribed by Misako Aida; Hiroshi Yamataka; Michel Dupuis


Publisher
Springer
Year
1999
Tongue
English
Weight
381 KB
Volume
102
Category
Article
ISSN
1432-2234

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