Investigation of the interaction of water with the calcite (10.4) surface using ab initio simulation

Journal of Physical Chemistry C

Volumn 113, Issue 17, 2009, Pages 7207-7212

  Lardge, J S ^a   Duffy, D M ^a   Gillan, M J ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AB INITIO SIMULATIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; LOW WATER; MD SIMULATION; THREE-LAYER;

CALCITE; CARBONATE MINERALS; DENSITY FUNCTIONAL THEORY; DESORPTION; DYNAMICS; MOLECULAR DYNAMICS;

MOLECULES;

EID: 67049145203     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp806109y     Document Type: Article

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