Publication
The dynamics of the reaction between O (1D) and DH and the isotopic effect
| dc.contributor.author | Rio, Carolina | |
| dc.contributor.author | Brandão, J. | |
| dc.date.accessioned | 2015-09-16T13:53:28Z | |
| dc.date.available | 2015-09-16T13:53:28Z | |
| dc.date.issued | 2004-10 | |
| dc.description | In particular, we analyse the reactive cross section, the opacity function, and the differential cross sections. In this work we also study the energy distribution of the products for the O(1D) + DH reaction. We also analyse the H/D ratio, H/D, where there are larger divergences between the results from different potential energy surfaces and experiment. The agreement found between our QCT results [3,4,5] and experiment reinforces the accuracy of the H2O potential energy surface used. | por |
| dc.description.abstract | The reaction O(1D) + H2 OH + H and its isotopic variants plays an important role in atmospheric chemistry and also is important in combustion chemistry. It has been taken as a prototype for insertion reactions. As a result, it has been subject of several experimental studies. Also theoretical studies of its dynamics have been carried out. | por |
| dc.identifier.other | AUT: CRI01087; | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/6767 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.publisher | Minnesota Supercomputer Institute-University | por |
| dc.subject | Combustion chemistry | por |
| dc.subject | Quasiclassical and capture studies | por |
| dc.title | The dynamics of the reaction between O (1D) and DH and the isotopic effect | por |
| dc.type | conference object | |
| dspace.entity.type | Publication | |
| oaire.citation.conferencePlace | Minnesota Supercomputer Institute-University of Minnesota | por |
| oaire.citation.title | Computational Chemical Dynamics from Gas-Phase to Condensed-Phase Systems | 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 | openAccess | por |
| rcaap.type | conferenceObject | por |
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| relation.isAuthorOfPublication.latestForDiscovery | b09a638f-82dc-42a8-88d1-a095b345ba06 |