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http://hdl.handle.net/1942/3747| Title: | AM1 COMPUTED VIBRATIONS IN 2 C60O STRUCTURES | Authors: | SLANINA, Z UHLIK, F FRANCOIS, Jean-Pierre Adamowicz, L. |
Issue Date: | 1993 | Publisher: | MARCEL DEKKER INC | Source: | SPECTROSCOPY LETTERS, 26(9). p. 1785-1796 | Abstract: | Harmonic vibrational analysis for fully optimized C(s) and C2v structures Of C60 O has been performed with AMI quantum-chemical method. The vibrational frequencies, their (partial) symmetry classification and IR intensities are reported, and their relationships to observations discussed. | Notes: | LIMBURGS UNIV CENTRUM,DEPT SBG,B-3590 DIEPENBEEK,BELGIUM. CHARLES UNIV,FAC SCI,PRAGUE 2,CZECHOSLOVAKIA. UNIV ARIZONA,DEPT CHEM,TUCSON,AZ 85721. | Keywords: | FULLERENES AND THEIR DERIVATIVES; VIBRATIONAL SPECTRA; COMPUTATIONS OF | Document URI: | http://hdl.handle.net/1942/3747 | ISI #: | A1993MH81000020 | Type: | Journal Contribution |
| Appears in Collections: | Research publications |
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