𝔖 Bobbio Scriptorium
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Calculation of force constants and vibrational frequencies of octahedral MX6 molecules

✍ Scribed by Egbert Hahn; Ralph Hebisch


Book ID
108008661
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
346 KB
Volume
47
Category
Article
ISSN
1386-1425

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πŸ“œ SIMILAR VOLUMES


Unrestricted Hartreeβ€”Fock calculation of
✍ P. Botschwina πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 453 KB

UHk SCF ulculations with ZI medium-sized basis set of gaussian lobe functions have been performed on the ground state of the X0 Ladical. All the harmonic and the diagonal cubic force constants have been calculated by thb force method of Pulay. From the force constants, vibrational frequexies have be