The two-photon absorption spectra at -1 cm-' resolution is presented for benzene46 and benzenedb. A number ofvibrations of bt,, bzu. etu and czu symmetry are assigned and the results compared with theoretical espectations. It appears as if the n-rlectron states dominate the coupling to the radiatio
✦ LIBER ✦
Multiple surface intersections and strong nonadiabatic coupling effects between the D̃ 2E1u and Ẽ 2B2u states of C6H6+
✍ Scribed by M. Döscher; H. Köppel
- Book ID
- 108430621
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 191 KB
- Volume
- 225
- Category
- Article
- ISSN
- 0301-0104
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The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge
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