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On the structure of collision and detachment frequencies in flotation models

✍ Scribed by Frederick Bloom; Theodore J. Heindel


Book ID
108311041
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
174 KB
Volume
57
Category
Article
ISSN
0009-2509

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On the structure and vibrational frequen
✍ Jan M.L. Martin; Jamal El-Yazal; Jean-Pierre FranΓ§ois πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 554 KB

Several structures of C24 have been studied using different density functional methods. Using the B3LYP (Becke 3parameter Lee-Yang-Parr) method, fingerprint-quality infrared spectra have been computed for all species. The computed geometries differ substantially from those obtained at the SCF level