Enviar artigo por via de e-mail Prediction of new halo-elpasolites
- Autores: Kiselyova N.N.1, Stolyarenko A.V.1, Ryazanov V.V.2, Sen’ko O.V.2, Dokukin A.A.2
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Afiliações:
- Baikov Institute of Metallurgy and Materials Science
- Dorodnitsyn Computing Center
- Edição: Volume 61, Nº 5 (2016)
- Páginas: 604-609
- Seção: Theoretical Inorganic Chemistry
- URL: https://bakhtiniada.ru/0036-0236/article/view/166432
- DOI: https://doi.org/10.1134/S0036023616050090
- ID: 166432
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Resumo
We predicted elpasolites having the composition A2BCHal6 (A and C stand for different monovalent metals; B stands for trivalent metals; and Hal for F, Cl, or Br) that have not been obtained yet. Prediction was based on the data on properties of elements and simple halides only. The computations were carried out using specialized software for computer-assisted data analysis relying on the precedent-based pattern recognition method.
Sobre autores
N. Kiselyova
Baikov Institute of Metallurgy and Materials Science
Autor responsável pela correspondência
Email: kisi@met.ac.ru
Rússia, Leninskii pr. 49, Moscow
A. Stolyarenko
Baikov Institute of Metallurgy and Materials Science
Email: kisi@met.ac.ru
Rússia, Leninskii pr. 49, Moscow
V. Ryazanov
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Rússia, Moscow
O. Sen’ko
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Rússia, Moscow
A. Dokukin
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Rússia, Moscow
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