EnglishThere are several methods for isolating a P, Q, or R branch from the rest of the unassigned rovibrational spectrum of an asymmetric-top molecule. But at the moment, to our knowledge, once the branch has been isolated, there is no automated procedure for its assignment. Here, we present a simple semi-empirical algorithm which has proved successful in computer experiments on both S(CN)(2) (a near prolate rotor) and C3H6O (a near oblate rotor.) The limits to the applicability of this method are discussed. (C) 2007 Elsevier Inc. All rights reserved.
Utilizza questo identificativo per citare o creare un link a questo documento:
http://hdl.handle.net/11568/114228| Autori interni: | MORUZZI, GIOVANNI |
| Autori: | Moruzzi G |
| Titolo: | An automated branch-assignment algorithm for rovibrational spectra of asymmetric-top molecules |
| Anno del prodotto: | 2007 |
| Digital Object Identifier (DOI): | 10.1016/j.jms.2007.08.004 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
Copyright © 2017