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Computation of adsorbate vibrational frequencies: methyl, methylidyne and methoxy adsorbed on the Al(111) surface

✍ Scribed by John D. Head; Visvaldas Kairys; Yu Shi

Book ID
114143437
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
165 KB
Volume
464
Category
Article
ISSN
0166-1280

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Characterization of Fermi resonances in
Characterization of Fermi resonances in adsorbate vibrational spectra using cluster calculations: Methoxy adsorption on Al(111) and Cu(111)
✍ John D. Head; Yu Shi πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 140 KB πŸ‘ 2 views

The optimized geometries and computed vibrational frequencies for Ε½ . CH O adsorbed at fcc and hcp threefold sites were determined for the Al 111 and 3 Ε½ . Cu 111 surfaces using cluster calculations. The frequencies of the first overtone for the three CH bending modes are found to be very close to