Proton distribution in KHCO3 from ab initio molecular dynamics simulation

Chemical Physics Letters

Volumn 476, Issue 4-6, 2009, Pages 223-226

  Dopieralski, Przemyslaw D ^a   Latajka, Zdzislaw ^a   Ilovsson, Ivar ^b  

^a UNIVERSITY OF WROC AW   (Poland)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS FILMS; DIMERS; HYDROGEN BONDS; PROTON TRANSFER;

AB INITIO MOLECULAR DYNAMICS SIMULATION; CAR-PARRINELLO MOLECULAR DYNAMICS; HIGH-ACCURACY; PATH INTEGRAL; PROTON DISTRIBUTIONS; TIME LAG;

MOLECULAR DYNAMICS;

EID: 71849106221     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.06.048     Document Type: Article

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