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Structural Dynamics of Chloromethanes through Computational Spectroscopy: Combining INS and DFT

In this work, the structural dynamics of the chloromethanes CCl(4), CHCl(3) and CH(2)Cl(2) were evaluated through a computational spectroscopy approach by comparing experimental inelastic neutron scattering (INS) spectra with the corresponding simulated spectra obtained from periodic DFT calculation...

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Detalles Bibliográficos
Autores principales:	Nolasco, Mariela M., Coimbra, Mariana Matos, Parker, Stewart F., Vaz, Pedro D., Ribeiro-Claro, Paulo J. A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9655087/ https://www.ncbi.nlm.nih.gov/pubmed/36364488 http://dx.doi.org/10.3390/molecules27217661

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