Computational Assessment of an Elusive Aromatic N(3)P(3) Molecule

[Image: see text] We computationally proved that the planar aromatic hexagonal isomer N(3)P(3) with the alteration of N and P is the second most stable structure for the N(3)P(3) stoichiometry. We found that the aromatic isomer has high barriers for transition into the global minimum structure or in...

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Detalles Bibliográficos
Autores principales: Starikova, Alyona A., Boldyreva, Natalia M., Minyaev, Ruslan M., Boldyrev, Alexander I., Minkin, Vladimir I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641276/
https://www.ncbi.nlm.nih.gov/pubmed/31457893
http://dx.doi.org/10.1021/acsomega.7b01719

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