Solvent dependence of double proton transfer in the formic acid-formamidine complex: Path integral molecular dynamics investigation

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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Bibliographic Details
Main Authors: Nawee Kungwan, Chanisorn Ngaojampa, Yudai Ogata, Tsutomu Kawatsu, Yuki Oba, Yukio Kawashima, Masanori Tachikawa
Format: Journal
Published: 2018
Subjects:
Chemistry
Agricultural and Biological Sciences
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85032703196&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/43801
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Institution: Chiang Mai University

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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85032703196&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/43801

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