Publication
Quantum vs. classical calculations of isotopic effect on the O(1D) + HD reaction
| dc.contributor.author | Rio, Carolina | |
| dc.date.accessioned | 2015-08-31T16:27:26Z | |
| dc.date.available | 2015-08-31T16:27:26Z | |
| dc.date.issued | 2007-07 | |
| dc.description | We have studied the isotopic branching ratio of the title reaction using quasiclassical trajectory methods (QCT) on the BR potential energy surface (PES)[2]. Those results predict a value close to 2 which is higher than the direct experimental measurements. For further access the dynamics of the reaction O(1D)+ HD, in this work we present also a preliminary quantum mechanical study results. | por |
| dc.description.abstract | The reaction of electronically excited oxygen atoms with ground state molecular hydrogen, H2(X1Σ+g), is known to play an important role in the atmospheric chemistry and combustion processes, and it has been the subject of extensive experimental and theoretical work over the past decade. | por |
| dc.identifier.other | AUT: CRI01087; | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/6712 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.publisher | University of Cambridge | por |
| dc.subject | Isotopic effect | por |
| dc.title | Quantum vs. classical calculations of isotopic effect on the O(1D) + HD reaction | por |
| dc.type | conference object | |
| dspace.entity.type | Publication | |
| oaire.citation.conferencePlace | University of Cambridge, UK | por |
| oaire.citation.title | 9th International Workshop on Quantum Reactive Scattering - QRS IX Clare College | 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 |