Solvent dependence of double proton transfer in the formic acid-formamidine complex: Path integral molecular dynamics investigation
© 2017 American Chemical Society. Solvent dependence of double proton transfer in the formic acid-formamidine (FA-FN) complex at room temperature was investigated by means of ab initio path integral molecular dynamics (AIPIMD) simulation with taking nuclear quantum and thermal effects into account....
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| Main Authors: | , , , , , , |
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| Format: | Journal |
| Published: |
2018
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| Subjects: | |
| Online Access: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85032703196&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/57008 |
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| Institution: | Chiang Mai University |