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Structural properties of lithium metaphosphate glasses by ab initio molecular electronic structure calculations

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Structural properties of lithium metaphosphate glasses by ab initio molecular electronic structure calculations
Σημαντήρας, Eμμανουήλ
Liakos, Dimitrios G.
Άρθρο σε επιστημονικό περιοδικό
2008-03-01
Following a theoretical: determination of cluster-models for lithium metaphosphate glass, a theoretical method for the prediction of structural data such as radial and bond distribution functions is presented. These are calculated and compared to experimental data for this particular glass. Useful conclusions are drawn regarding the general use of molecular electronic structure methods for the determination of the structure of glasses.
AMSTERDAM
Επιστήμη (Γενικά) (EL)
Τεχνολογία (Γενικά) (EL)
Technology (General) (EN)
Science (General) (EN)
ab initio
Materials Science, Ceramics
Materials Science, Multidisciplinary
English
Elsevier BV, North-Holland
Journal of Non-crystalline Solids
https://rightsstatements.org/page/InC/1.0/?language=en
© 2007 Elsevier B.V. All rights reserved.
© 2007 Elsevier B.V. All rights reserved. (EN)
National Hellenic Research Foundation (NHRF)
Helios - Repository of the National Hellenic Research Foundation (NHRF)



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