Low-Energy Transformation Pathways between Naphthalene Isomers

The transformation pathways between low-energy naphthalene isomers are studied by investigating the topology of the energy landscape of this astrophysically relevant molecule. The threshold algorithm is used to identify the minima basins of the isomers on the potential energy surface of the system a...

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Detalles Bibliográficos
Autores principales: Salomon, Grégoire, Tarrat, Nathalie, Schön, J. Christian, Rapacioli, Mathias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10420886/
https://www.ncbi.nlm.nih.gov/pubmed/37570748
http://dx.doi.org/10.3390/molecules28155778

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10420886/
https://www.ncbi.nlm.nih.gov/pubmed/37570748
http://dx.doi.org/10.3390/molecules28155778

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