A computational study on the relationship between formation and electrolytic dissociation of carbonic acid

Theoretical Chemistry Accounts

Volumn 130, Issue 4-6, 2011, Pages 909-918

  Yamabe, Shinichi ^a   Kawagishi, Nao ^a  

^a NARA UNIVERSITY OF EDUCATION   (Japan)

Author keywords

DFT calculations; Hydrogen bond; Ion pair; Proton transfer; Transition state; Zundel cation

Indexed keywords

EID: 81855194129     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0929-5     Document Type: Article

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