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dc.contributor.author
Fernández Alberti, Sebastián
dc.contributor.author
Echave, Julián
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Engel, V.
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Halberstadt, N.
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Beswick, J. A.
dc.date.available
2019-03-14T19:08:45Z
dc.date.issued
2000-07
dc.identifier.citation
Fernández Alberti, Sebastián; Echave, Julián; Engel, V.; Halberstadt, N.; Beswick, J. A.; Hybrid quantum/classical study of ICN in an Ar matrix: photofragmentation and cage exit; American Institute of Physics; Journal of Chemical Physics; 113; 3; 7-2000; 1027-1034
dc.identifier.issn
0021-9606
dc.identifier.uri
http://hdl.handle.net/11336/71678
dc.description.abstract
The photodissociation dynamics of ICN in a cryogenic argon matrix were studied using a hybrid quantum/classical technique based on the MDQT method of Tully. Calculations were carried out using six ICN electronic surfaces and their corresponding couplings. Overall, the calculations allowed a detailed analysis of the role of the first collision with the cage and yielded a probability for cage exit of the CN fragment of the order of 2%.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Institute of Physics
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Photodynamics
dc.subject
Icn
dc.subject
Ar Matrix
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Astronomía
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Hybrid quantum/classical study of ICN in an Ar matrix: photofragmentation and cage exit
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-03-14T14:14:18Z
dc.journal.volume
113
dc.journal.number
3
dc.journal.pagination
1027-1034
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Nueva York
dc.description.fil
Fil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
dc.description.fil
Fil: Echave, Julián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
dc.description.fil
Fil: Engel, V.. Universität Würzburg; Alemania
dc.description.fil
Fil: Halberstadt, N.. Université Paul Sabatier; Francia
dc.description.fil
Fil: Beswick, J. A.. Université Paul Sabatier; Francia
dc.journal.title
Journal of Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1063/1.481882
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.481882
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