Thesis etd-08292014-141658 |
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Thesis type
Tesi di laurea magistrale
Author
BAIARDI, ALBERTO
URN
etd-08292014-141658
Thesis title
Development of a general time-dependent approach for the calculation of vibronic spectra of medium- and large-size molecules
Department
CHIMICA E CHIMICA INDUSTRIALE
Course of study
CHIMICA
Supervisors
relatore Barone, Vincenzo
Keywords
- Internal Coordinates
- Resonance Raman
- Vibronic spectroscopy
Graduation session start date
18/09/2014
Availability
Full
Summary
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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| Nome file | Dimensione |
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| Ack.pdf | 12.57 Kb |
| TesiMagistrale.pdf | 5.67 Mb |
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