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CEPA calculations on open-shell molecules. V. The vibration frequencies of SF and SCl

โœ Scribed by Volker Staemmler


Publisher
Springer
Year
1982
Tongue
English
Weight
592 KB
Volume
62
Category
Article
ISSN
1432-2234

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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