Publication
A modified DMBE IV Potential with spectroscopic accuracy: vibrational levels and rotational constants
| dc.contributor.author | Rio, Carolina | |
| dc.date.accessioned | 2015-08-31T16:19:47Z | |
| dc.date.available | 2015-08-31T16:19:47Z | |
| dc.date.issued | 2007-09 | |
| dc.description | The corrected DMBE IV potential, here named DMBE IV-C, accurately reproduces the vibrational levels (errors < 0.01 cm-1) and rotational constants, while keeping constant the remaining features of this PES that should control the reaction dynamics. | por |
| dc.description.abstract | The hydroxyl radical, HO2, is the intermediate of the H + O2 O + OH reaction of overwhelming importance in atmospheric and reaction chemistry. As a consequence we can found many studies of the potential energy surface of the X 2A'' HO2 ground state. | por |
| dc.identifier.other | AUT: CRI01087; | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/6710 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.title | A modified DMBE IV Potential with spectroscopic accuracy: vibrational levels and rotational constants | por |
| dc.type | conference object | |
| dspace.entity.type | Publication | |
| oaire.citation.conferencePlace | Saarbrücken, Germany | por |
| oaire.citation.title | 43rd Symposium for Theoretical Chemistry 2007, Large, Non-Biological Systems | por |
| person.familyName | Rio | |
| person.givenName | Carolina | |
| person.identifier.ciencia-id | 041C-CEBA-D023 | |
| person.identifier.orcid | 0000-0001-5018-6542 | |
| person.identifier.rid | E-2940-2012 | |
| person.identifier.scopus-author-id | 6701614002 | |
| rcaap.rights | restrictedAccess | por |
| rcaap.type | conferenceObject | por |
| relation.isAuthorOfPublication | b09a638f-82dc-42a8-88d1-a095b345ba06 | |
| relation.isAuthorOfPublication.latestForDiscovery | b09a638f-82dc-42a8-88d1-a095b345ba06 |