Abstract
Density Functional Theory (DFT) calculations indicate that AuF might be synthesized at 22.6 GPa from AuF3 and Au (1 : 2), and subsequently quenched down to at least 5 GPa in the Cmcm (bent chain) structure.
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* Corresponding authors
a
Faculty of Chemistry, University of Warsaw, Pasteur 1, Warsaw 02093, Poland
E-mail:
d.kurzydlowski@student.uw.edu.pl
Fax: +48 22 8225996
Tel: +48 22 8220211
b
Interdisciplinary Center for Mathematical and Computational Modeling, University of Warsaw, Pawińskiego 5a, Warsaw 02106, Poland
E-mail:
wg22@cornell.edu
Fax: +48 22 5540801
Tel: +48 22 5540828
Density Functional Theory (DFT) calculations indicate that AuF might be synthesized at 22.6 GPa from AuF3 and Au (1 : 2), and subsequently quenched down to at least 5 GPa in the Cmcm (bent chain) structure.
D. Kurzydłowski and W. Grochala, Chem. Commun., 2008, 1073 DOI: 10.1039/B716705A
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