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A path integral molecular dynamics study on the NH4+ rotation in NH4+⋯XH2 (X = Be or Mg) dihydrogen bond systems

Taro Udagawa1, Amane Kinoshita1, Kazuaki Kuwahata2

  • 1Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, Gifu 501-1193, Japan. udagawa@gifu-u.ac.jp.

Physical Chemistry Chemical Physics : PCCP
|July 11, 2022
PubMed

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