Article ID Journal Published Year Pages File Type
5374071 Chemical Physics 2013 8 Pages PDF
Abstract
► We calculated ionization dynamics of water trimer. ► Direct ab initio molecular dynamics (MD) method is applied. ► Proton transfer dynamics were discussed. ► The proton transfer process calculated are well reproduced in recent experiments.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Ionization dynamics of the water trimer: A direct ab initio MD study
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