Stability and hydration structure of model perfluorosulfonic acid compound systems, CF3SO3H(H2O)n (n=1-4), and its isotopomer by the direct treatment of H/D nuclear quantum effects

Computational and Theoretical Chemistry

Volumn 975, Issue 1-3, 2011, Pages 92-98

  Ishimoto, Takayoshi ^a   Ogura, Teppei ^a   Koyama, Michihisa ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

H D isotope effect; Hydrogen bond structure; Intermolecular interaction energy; Perfluorosulfonic acid; Polymer electrolyte fuel cell

Indexed keywords

EID: 84555197139     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.02.006     Document Type: Article

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