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Vibrational frequencies of simple sulfur oxides: ab initio SQM and MCSCF calculations; comparison

โœ Scribed by J.P. Flament; N. Rougeau; M. Tadjeddine


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
718 KB
Volume
167
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES


Ab initio calculations on the stabilizat
โœ H.-H. Ritze; W. Radloff ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 667 KB

The van der Waals complex benzene-SF, has been studied theoretically by ab initio calculations using MP2 theory. A C, symmetry has been found for the equilibrium configuration in contrast to the Cs, symmetry derived using a pairwise atom-atom Lennard-Jones potential. Thus, good agreement has been ac