The role of the umbrella inversion mode in proton diffusion

Chemical Physics Letters

Volumn 599, Issue , 2014, Pages 133-138

  Hassanali, Ali A ^a   Giberti, Federico ^b   Sosso, Gabriele C ^b   Parrinello, Michele ^b  

^a ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^b UNIVERSITY OF LUGANO   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; HYDRONIUMS; INVERSION MODES; LIQUID WATER; PROTON DIFFUSION; WATER NETWORKS;

PROTON TRANSFER;

MOLECULAR DYNAMICS;

EID: 84898081226     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.03.034     Document Type: Article

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