Structural and electronic properties of modified sodium and soda-lime silicate glasses by Car–Parrinello molecular dynamics
Abstract
Car–Parrinello molecular dynamics simulations of
* Corresponding authors
a
Department of Chemistry, University College London, London, WC1H 0AJ
E-mail:
a.tilocca@ucl.ac.uk
Fax: +44 (0)20 76797463
Tel: +44 (0)20 76797465
b School of Crystallography, Birkbeck College, London, WC1E 7HX, U.K.
Car–Parrinello molecular dynamics simulations of
A. Tilocca and N. H. de Leeuw, J. Mater. Chem., 2006, 16, 1950 DOI: 10.1039/B517362K
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