Molecular dynamics simulation based on the multi-component molecular orbital method: Application to H 5O 2 +, D 5O 2 +, and T 5O 2 +

Chemical Physics

Volumn 392, Issue 1, 2012, Pages 166-169

  Ishimoto, Takayoshi ^a   Koyama, Michihisa ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

Hydrogen bond; Isotope effect; MC MO method; Molecular dynamics; Nuclear quantum effect

Indexed keywords

EID: 84855689026     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.11.007     Document Type: Article

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