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Vibrational Mode-Specific Dynamics of the OH + C(2)H(6) Reaction

[Image: see text] We investigate the effects of the initial vibrational excitations on the dynamics of the OH + C(2)H(6) → H(2)O + C(2)H(5) reaction using the quasi-classical trajectory method and a full-dimensional analytical ab initio potential energy surface. Excitation of the initial CH, CC, and...

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Detalles Bibliográficos
Autores principales:	Gruber, Balázs, Tajti, Viktor, Czakó, Gábor
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10493966/ https://www.ncbi.nlm.nih.gov/pubmed/37620310 http://dx.doi.org/10.1021/acs.jpca.3c04328

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