Tesi etd-08292014-141658 |
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Tipo di tesi
Tesi di laurea magistrale
Autore
BAIARDI, ALBERTO
URN
etd-08292014-141658
Titolo
Development of a general time-dependent approach for the calculation of vibronic spectra of medium- and large-size molecules
Dipartimento
CHIMICA E CHIMICA INDUSTRIALE
Corso di studi
CHIMICA
Relatori
relatore Barone, Vincenzo
Parole chiave
- Vibronic spectroscopy
- Resonance Raman
- Internal Coordinates
Data inizio appello
18/09/2014
Consultabilità
Completa
Riassunto
The research project of Alberto Baiardi involves the development of a time-dependent method for the calculation of vibronic spectra. Particular care has been paid to the application of the framework to Resonance-Raman spectroscopy. The theory has be also extended to the use of internal coordinate system, in order to study flexible molecules. All the framework has been implemented inside the well-known computational chemistry package GAUSSIAN and applied to the simulation of spectra of medium and large size molecules.
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| TesiMagistrale.pdf | 5.67 Mb |
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