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Classification of the AB2C4 spinels: A pseudopotential orbital radii approach

โœ Scribed by F. Meloni; A. Shaukat


Publisher
Elsevier Science
Year
1984
Weight
242 KB
Volume
10
Category
Article
ISSN
0146-3535

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Ab initio molecular orbital study of the
โœ Fillmore Freeman; Anna Phornvoranunt; Warren J. Hehre ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 107 KB ๐Ÿ‘ 1 views

Ab initio 6-31G \* and MP2/6-31G \* //6-31G \* methods were used to calculate the relative energies of the rotamers in the chair conformations of 4-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes; CH 3 , C 2 H 5 , i-C 3 H 7 , t-C 4 H 9 , neo-C 5 H 11 , SiMe 3 ). The MP