Isotope effect of proton and deuteron adsorption site on zeolite-templated carbon using path integral molecular dynamics

Theoretical Chemistry Accounts

Volumn 130, Issue 4-6, 2011, Pages 1039-1042

  Suzuki, Kimichi ^a   Tachikawa, Masanori ^b   Ogawa, Hiroshi ^a   Ittisanronnachai, Somlak ^c   Nishihara, Hirotomo ^c   Kyotani, Takashi ^c   Nagashima, Umpei ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b YOKOHAMA CITY UNIVERSITY   (Japan)

^c TOHOKU UNIVERSITY   (Japan)

Author keywords

Carbon material; Isotope effect; Nuclear quantum effect

Indexed keywords

EID: 81855197053     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-1031-8     Document Type: Article

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