Publication
Isotopic effect in the O(1D) + DH reaction and H + OD <- > OH + D equilibrium.
| dc.contributor.author | Rio, Carolina | |
| dc.contributor.author | Brandão, J. | |
| dc.contributor.author | Wang, Wenli | |
| dc.date.accessioned | 2015-09-16T17:29:30Z | |
| dc.date.available | 2015-09-16T17:29:30Z | |
| dc.date.issued | 2005-07 | |
| dc.description | Here we compare our results with those already published. Possible contributions of the excited surfaces are also taken into account. At 2.05, 3.7, and 4.55 kcal mol-1 collision energies we have studied the cross section, the life time for the complex formed, the opacity function, the energy distribution of the products, the isotopic effect OD/OH and the angular distribution of the products. We also discuss the contribution of the insertion and abstraction mechanisms. In order to corroborate experimental results, we have also studied the H + OD OH + D equilibrium. | por |
| dc.description.abstract | In this work a recent double-valued potential energy surface for water molecule [1] is used in order to study the isotopic effect in O(1D) + DH reaction, by using quasiclassical trajectory calculations (QCT). | por |
| dc.identifier.other | AUT: CRI01087; | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/6780 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.title | Isotopic effect in the O(1D) + DH reaction and H + OD <- > OH + D equilibrium. | por |
| dc.type | conference object | |
| dspace.entity.type | Publication | |
| oaire.citation.conferencePlace | University of California, Los Angeles, United States of America | por |
| oaire.citation.title | American Conference on Theoretical Chemistry (2005 ACTC Conference) | por |
| person.familyName | Rio | |
| person.familyName | Brandão | |
| person.familyName | Wang | |
| person.givenName | Carolina | |
| person.givenName | João | |
| person.givenName | Wenli | |
| person.identifier.ciencia-id | 041C-CEBA-D023 | |
| person.identifier.ciencia-id | 501B-3366-CB7B | |
| person.identifier.ciencia-id | FB1F-BEF0-E41B | |
| person.identifier.orcid | 0000-0001-5018-6542 | |
| person.identifier.orcid | 0000-0003-3047-7793 | |
| person.identifier.orcid | 0000-0003-3313-9511 | |
| person.identifier.rid | E-2940-2012 | |
| person.identifier.rid | A-6390-2010 | |
| person.identifier.rid | E-3358-2012 | |
| person.identifier.scopus-author-id | 6701614002 | |
| person.identifier.scopus-author-id | 7004555284 | |
| rcaap.rights | openAccess | por |
| rcaap.type | conferenceObject | por |
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