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Full dimensional potential energy surface and low temperature dynamics of the H(2)CO+OH → HCO + H(2)O reaction†

A new method is proposed to represent analytically the potential energy surface of reactions involving polyatomic molecules capable to describe accurately long range interactions and saddle points, needed to describe low temperature collisions. It is based on two terms, a reactive force field term a...

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Detalhes bibliográficos
Publicado no:Phys Chem Chem Phys
Main Authors: Zanchet, Alexandre, del Mazo, Pablo, Aguado, Alfredo, Roncero, Octavio, Jiménez, E., Canosa, André, Agúndez, M., Cernicharo, J.
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6031300/
https://ncbi.nlm.nih.gov/pubmed/28959812
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7cp05307j
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