Artículo

Hybrid quantum/classical study of ICN in an Ar matrix: photofragmentation and cage exit

Fernández Alberti, SebastiánIcon ; Echave, JuliánIcon ; Engel, V.; Halberstadt, N.; Beswick, J. A.
Fecha de publicación: 07/2000
Editorial: American Institute of Physics
Revista: Journal of Chemical Physics
ISSN: 0021-9606
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

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%.
Palabras clave: Photodynamics , Icn , Ar Matrix
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/71678
DOI: https://doi.org/10.1063/1.481882
URL: https://aip.scitation.org/doi/10.1063/1.481882
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Citación
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
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