Ab initio simulation of hydrogen bonding in ices under ultra-high pressure

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Tian, Linan ^a   Kolesnikov, Alexander I ^b   Li, Jichen ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO SIMULATIONS; COMPUTATIONAL SIMULATION; DFT METHOD; H-BONDING; INELASTIC NEUTRONS; PRESSURE DEPENDENT; SYMMETRICAL STRUCTURE; ULTRAHIGH PRESSURE;

HYDROGEN BONDS;

ICE;

EID: 84870555608     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767718     Document Type: Article

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