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Ab initio study of PrAg intermetallic compound

โœ Scribed by B. Kocak; Y.O. Ciftci; K. Colakoglu; E. Deligoz


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
575 KB
Volume
406
Category
Article
ISSN
0921-4526

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Ab initio molecular orbital studies for
โœ Peter J. Gardner; Steve R. Preston; Rachel Siertsema; Derek Steele ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 972 KB

## Abstract Using a 6โ€311G\*\* basis set with estimation of correlation energy at the MP2 level, structural and energetic data for 40 molecular species containing magnesium have been calculated. For about half the species studied, further energetic data were obtained using Pople's G2 method. Enthal