Program for predicting interatomic distances in crystals by the bond valence method

Program for predicting interatomic distances in crystals by the bond valence method

The program is a computer realization of the bond valence method (BVM), used to predict bond lengths in crystal structures from topological data. Using object-oriented programming made it possible to analyze structures of any complexity (up to 6480 crystal chemical positions). Hardware and software...

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Veröffentlicht in:Journal of structural chemistry 1998-07, Vol.39 (4), p.575-579
Hauptverfasser: Orlov, I. P., Popov, K. A., Urusov, V. S.
Format: Artikel
Sprache:eng
Schlagworte:
Crystallography
Microprocessors
Object oriented programming
Windows (computer programs)
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Beschreibung
Zusammenfassung:The program is a computer realization of the bond valence method (BVM), used to predict bond lengths in crystal structures from topological data. Using object-oriented programming made it possible to analyze structures of any complexity (up to 6480 crystal chemical positions). Hardware and software requirements: i486DX processor, operating system Windows 3.1/95, 4M RAM, and about 2M disk space. The program was developed at the Crystallography and Crystal Chemistry Department, Geological Faculty, Moscow State University.
ISSN:0022-4766
1573-8779
DOI:10.1007/BF02903633