Publication
The branching ratio of the O(1D) + HD reaction: a dynamical study
| dc.contributor.author | Rio, Carolina | |
| dc.contributor.author | Brandão, J. | |
| dc.date.accessioned | 2014-10-20T15:13:08Z | |
| dc.date.available | 2014-10-20T15:13:08Z | |
| dc.date.issued | 2007 | |
| dc.description.abstract | The isotopic branching on the reaction of O(1D) + HD has been the subject of several theoretical and experimental studies with results ranging from 1 to 2 for the OD/OH product ratio. We present a study of the dynamics of this reaction using a double-valued potential energy surface for the ground state water molecule. Our results predict a branching ratio close to 2 for this reaction in agreement with statistical studies but in contrast with experiment. This result can be attributed to the formation and dynamics of the intermediate complex. | por |
| dc.identifier.doi | http://dx.doi.org/doi:10.1016/j.cplett.2006.11.061 | |
| dc.identifier.issn | 0009-2614 | |
| dc.identifier.other | AUT: CRI01087; | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/5380 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.publisher | Elsevier | por |
| dc.relation.publisherversion | http://www.sciencedirect.com/science/article/pii/S0009261406017155 | por |
| dc.title | The branching ratio of the O(1D) + HD reaction: a dynamical study | por |
| dc.type | journal article | |
| dspace.entity.type | Publication | |
| oaire.citation.endPage | 274 | por |
| oaire.citation.startPage | 268 | por |
| oaire.citation.title | Chemical Physics Letters | por |
| oaire.citation.volume | 433 | por |
| person.familyName | Rio | |
| person.familyName | Brandão | |
| person.givenName | Carolina | |
| person.givenName | João | |
| person.identifier.ciencia-id | 041C-CEBA-D023 | |
| person.identifier.ciencia-id | 501B-3366-CB7B | |
| person.identifier.orcid | 0000-0001-5018-6542 | |
| person.identifier.orcid | 0000-0003-3047-7793 | |
| person.identifier.rid | E-2940-2012 | |
| person.identifier.rid | A-6390-2010 | |
| person.identifier.scopus-author-id | 6701614002 | |
| person.identifier.scopus-author-id | 7004555284 | |
| rcaap.rights | restrictedAccess | por |
| rcaap.type | article | por |
| relation.isAuthorOfPublication | b09a638f-82dc-42a8-88d1-a095b345ba06 | |
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| relation.isAuthorOfPublication.latestForDiscovery | 0f614a95-b0f9-4be4-9bd1-cd8882c453b0 |