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

• 作者Misako Aida; Hiroshi Yamataka; Michel Dupuis
• 卷第102卷
• 印刷ISSN1432-881X
• 电子ISSN1432-2234
• 文件大小380.62KB
• 发表时间1999-06
• DOI10.1007/s002140050497
• 页码262-271