Neutron diffraction measurements have been carried out for determining the total structure factor of liquid and The data were interpreted using the reverse Monte Carlo method, where the procedure started from results of molecular dynamics calculations. It is demonstrated that simple repulsive interatomic potential models are suitable for describing the most important structural features qualitatively. Based on detailed analyses of particle configurations, it is shown that “corner-to-face” type near-neighbor arrangements, that have been promoted for the interpretation of these structures over the last 20 years, are actually very rare, their occurrence being around 5% only. Instead, the dominance of “corner-to-corner” type orientational correlations is found.
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8 May 2001
Research Article|
May 08 2001
The structure of liquid tetrachlorides and Available to Purchase
Pál Jóvári;
Pál Jóvári
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
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György Mészáros;
György Mészáros
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
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László Pusztai;
László Pusztai
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
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Erzsébet Sváb
Erzsébet Sváb
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
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Pál Jóvári
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
György Mészáros
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
László Pusztai
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
Erzsébet Sváb
Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 49, Hungary
J. Chem. Phys. 114, 8082–8090 (2001)
Article history
Received:
January 10 2000
Accepted:
January 24 2001
Citation
Pál Jóvári, György Mészáros, László Pusztai, Erzsébet Sváb; The structure of liquid tetrachlorides and . J. Chem. Phys. 8 May 2001; 114 (18): 8082–8090. https://doi.org/10.1063/1.1355998
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