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Quantum mechanical calculations on vibronic activity in the MCD spectra of carbonyl compounds

✍ Scribed by Giancarlo Marconi

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
389 KB
Volume
36
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Vibronic activity in MCD spectra: Calcul
Vibronic activity in MCD spectra: Calculation of the induced B terms in the β€œorbital following” framework
✍ Giancarlo Marconi πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 492 KB

The vibronic activity revealed by the MCD spectra of benzene and formaldehyde has been investigated using the "orbital following" method for the vibronic integrals. The results agree reasonably well with experiment and with previous theoretical analyses. The most important terms contributing to the