Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

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Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

The behavior of liquid water around obtuse and acute steps parallel to <4̅41> on the {101̅4} cleavage surface of calcite has been investigated by means of classical molecular dynamics simulations performed with a force-field fitted against thermodynamic properties. Water density maps, radial d...

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Bibliographic Details
Main Authors:	De La Pierre, Marco, Raiteri, Paolo, Gale, Julian
Format:	Journal Article
Published:	American Chemical Society 2016
Online Access:	http://purl.org/au-research/grants/arc/FT130100463 http://hdl.handle.net/20.500.11937/23793

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