A powerful computational crystallography method to study ice polymorphism

Journal of Chemical Physics

Volumn 134, Issue 20, 2011, Pages

  Cogoni, M ^a   Daguanno, B ^a   Kuleshova, L N ^a   Hofmann, D W M ^a  

^a CENTER FOR ADVANCED STUDIES   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BOND FORMATION; BULK WATER; CLASSICAL MOLECULAR DYNAMICS; CLUSTERING APPROACH; COMPUTATIONAL PROTOCOLS; ICE CRYSTALS; ICE STRUCTURES; INTERACTION POTENTIAL MODELS; INTERACTION POTENTIALS; MD SIMULATION; PRESSURE CONDITIONS; PROTON HOPPING; RELATIVE STABILITIES; STRUCTURE IDENTIFICATION;

CLUSTER ANALYSIS; COMPUTATIONAL CHEMISTRY; COMPUTER SIMULATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; MOLECULAR DYNAMICS; PHASE DIAGRAMS;

ICE;

EID: 79958090387     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3593200     Document Type: Article

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