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An ab initio molecular orbital study of some coordination compounds of boron trifluoride

โœ Scribed by D.R. Armstrong; P.G. Perkins


Book ID
114040743
Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
461 KB
Volume
10
Category
Article
ISSN
0020-1693

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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