Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface

Title
Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface
Authors
Keywords
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Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 20, Issue 6, Pages 064206
Publisher
IOP Publishing
Online
2008-01-25
DOI
10.1088/0953-8984/20/6/064206

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