UNICA IRIS Institutional Research Information System
IRIS è il sistema di gestione integrata dei dati della ricerca (persone, progetti, pubblicazioni, attività) adottato dall'Università degli Studi di Cagliari dal mese di luglio 2015.
EnglishA theoretical study of rotational profiles of molecular absorption bands is essential for direct comparison with observations of diffuse interstellar bands. Applications using a Gaussian quantum-chemical approach within density functional theory are presented. Structural and vibrational properties of the polycyclic aromatic hydrocarbon ovalene cation (C32H14+) are obtained. We discuss the expected profile of the first electronic transition of such molecule, obtained with a Monte Carlo model of its rotation in the physical conditions of low temperatures and absence of collisions which are characteristic of the interstellar medium.
Scheda prodotto non validato
Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo
| Titolo: | Rotational profiles of molecular absorption bands in astrophysically relevant conditions | |
| Autori: | ||
| Data di pubblicazione: | 2004 | |
| Rivista: | ||
| Abstract: | A theoretical study of rotational profiles of molecular absorption bands is essential for direct comparison with observations of diffuse interstellar bands. Applications using a Gaussian quantum-chemical approach within density functional theory are presented. Structural and vibrational properties of the polycyclic aromatic hydrocarbon ovalene cation (C32H14+) are obtained. We discuss the expected profile of the first electronic transition of such molecule, obtained with a Monte Carlo model of its rotation in the physical conditions of low temperatures and absence of collisions which are characteristic of the interstellar medium. | |
| Handle: | http://hdl.handle.net/11584/12981 | |
| Tipologia: | 1.1 Articolo in rivista |
File in questo prodotto:
Copyright © 2022