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Molecular Complexes between Sodium and Carbonyl Compounds: Photoionization and ab Initio Molecular Orbital Studies

โœ Scribed by Wang, L.-T.; Su, T.-M.

Book ID
127026520
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
102 KB
Volume
104
Category
Article
ISSN
1089-5639

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Ab initio molecular orbital studies for
Ab initio molecular orbital studies for compounds of magnesium
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