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State-of-the-art thermochemical and kinetic computations for astrochemical complex organic molecules: formamide formation in cold interstellar clouds as a case study

We propose an integrated computational strategy aimed at providing reliable thermochemical and kinetic information on the formation processes of astrochemical complex organic molecules. The approach involves state-of-the-art quantum-mechanical computations, second-order vibrational perturbation theo...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Vazart, Fanny, Calderini, Danilo, Puzzarini, Cristina, Skouteris, Dimitrios, Barone, Vincenzo
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5856337/
https://ncbi.nlm.nih.gov/pubmed/27689448
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00379
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