AM1 COMPUTED VIBRATIONS IN 2 C60O STRUCTURES

Authors
SLANINA Z UHLIK F FRANCOIS JP ADAMOWICZ L
Citation
Z. Slanina et al., AM1 COMPUTED VIBRATIONS IN 2 C60O STRUCTURES, Spectroscopy letters, 26(9), 1993, pp. 1785-1796
Citations number
24
Categorie Soggetti
Spectroscopy
Journal title
Spectroscopy letters → ACNP
ISSN journal
00387010
Volume
26
Issue
9
Year of publication
1993
Pages
1785 - 1796
Database
ISI
SICI code
0038-7010(1993)26:9<1785:ACVI2C>2.0.ZU;2-0
Abstract
Harmonic vibrational analysis for fully optimized C(s) and C2v structu res Of C60 O has been performed with AMI quantum-chemical method. The vibrational frequencies, their (partial) symmetry classification and I R intensities are reported, and their relationships to observations di scussed.