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An important well studied atmospheric reaction, O (1D) + H2

2010Journal article Open Access
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dc.contributor.authorRio, Carolina
dc.contributor.authorBrandão, J.
dc.contributor.authorWang, Wenli
dc.date.accessioned2014-10-20T09:47:09Z
dc.date.available2014-10-20T09:47:09Z
dc.date.issued2010
dc.date.updated2014-10-18T10:18:57Z
dc.description.abstractAmong the chemical reactions in atmosphere, the reaction of an excited oxygen atom, O (View the MathML source), with ground state molecular hydrogen, H2 (View the MathML source), has been one of the most studied both experimentally and theoretically. To describe this reaction, various potential energy surfaces have been calibrated and their dynamics has been studied using quantum mechanical and quasiclassical trajectory methods. The theoretical results have shown to be in good agreement with experiment. The main uncertainties arise in the low temperature rate constants and in the isotopic branching ratio when reacting with HD.por
dc.identifier.citationRio, Carolina Maria Apolinário do. An Important Well Studied Atmospheric Reaction, O (1D) + H2, In Advances in Quantum Chemistry, 21-41, Amsterdam: Elsevier, 2010.por
dc.identifier.doihttp://dx.doi.org/10.1016/S0065-3276(07)00203-1
dc.identifier.issn0065-3276
dc.identifier.otherAUT: CRI01087; WWA01535;
dc.identifier.urihttp://hdl.handle.net/10400.1/5373
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherElsevierpor
dc.relation.publisherversionhttp://www.sciencedirect.com/science/article/pii/S0065327607002031por
dc.subjectAtmospheric reactionpor
dc.subjectO (1 D) + H2por
dc.titleAn important well studied atmospheric reaction, O (1D) + H2por
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceAmsterdampor
oaire.citation.endPage41por
oaire.citation.startPage21por
oaire.citation.titleAdvances in Quantum Chemistrypor
oaire.citation.volume55por
person.familyNameRio
person.familyNameBrandão
person.familyNameWang
person.givenNameCarolina
person.givenNameJoão
person.givenNameWenli
person.identifier.ciencia-id041C-CEBA-D023
person.identifier.ciencia-id501B-3366-CB7B
person.identifier.ciencia-idFB1F-BEF0-E41B
person.identifier.orcid0000-0001-5018-6542
person.identifier.orcid0000-0003-3047-7793
person.identifier.orcid0000-0003-3313-9511
person.identifier.ridE-2940-2012
person.identifier.ridA-6390-2010
person.identifier.ridE-3358-2012
person.identifier.scopus-author-id6701614002
person.identifier.scopus-author-id7004555284
rcaap.rightsopenAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublicationb09a638f-82dc-42a8-88d1-a095b345ba06
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relation.isAuthorOfPublicationc777e448-74ef-4bc6-9ed7-0ff07d1181f9
relation.isAuthorOfPublication.latestForDiscoveryb09a638f-82dc-42a8-88d1-a095b345ba06

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