On the structure of crystalline and molten cryolite: Insights from the ab initio molecular dynamics in NpT ensemble-Reference-Cited by-同舟云学术

On the structure of crystalline and molten cryolite: Insights from the ab initio molecular dynamics in NpT ensemble

Published:2016-02-14 Issue:6 Volume:144 Page:064502
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bučko Tomáš¹²,Šimko František²^ORCID

Affiliation:

1. Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Ilkovičova 6, SK-84215 Bratislava, Slovakia

2. Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská Cesta 9, SK-84236 Bratislava, Slovakia

Funder

VEGA grant agency

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4941333

Reference49 articles.

1. Reinvestigation of Molten Fluoroaluminate Raman Spectra: The Question of the Existence of AlF52− Ions

2. Structure and Thermodynamics of NaF−AlF3 Melts with Addition of CaF2 and MgF2

3. Study of NaF−AlF3 Melts by High-Temperature 27Al NMR Spectroscopy: Comparison with Results from Raman Spectroscopy

4. Theoretical evidence for the stability of the (AlF5)2− complex anion

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