Source:http://linkedlifedata.com/resource/pubmed/id/21702542
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
23
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| pubmed:dateCreated |
2011-6-27
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| pubmed:abstractText |
Quantum reactive scattering calculations on accurate potential energy surfaces predict that at energies below ?5 meV, the reaction of F atoms with H(2) is dominated by the Born-Oppenheimer (BO) forbidden reaction of the spin-orbit excited F((2)P(1?2)) atom. This non-BO dominance is amplified by low-energy resonances corresponding to quasi-bound states of the HF(v = 3, j = 3) + H product channel. Neglect of non-adiabatic coupling between the electronic states of the F atom leads to a qualitatively incorrect picture of the reaction dynamics at low energy.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Jun
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| pubmed:issn |
1089-7690
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| pubmed:author | |
| pubmed:copyrightInfo |
© 2011 American Institute of Physics
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| pubmed:issnType |
Electronic
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| pubmed:day |
21
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| pubmed:volume |
134
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
231101
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| pubmed:year |
2011
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| pubmed:articleTitle |
Communication: non-adiabatic coupling and resonances in the F + H2 reaction at low energies.
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| pubmed:affiliation |
LOMC - Universite? du Havre, 25 Rue Philippe Lebon, BP 540 - 76 058 Le Havre Cedex, France. francois.lique@univ-lehavre.fr
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| pubmed:publicationType |
Journal Article
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