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...

Descripción completa

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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9655087/
https://www.ncbi.nlm.nih.gov/pubmed/36364488
http://dx.doi.org/10.3390/molecules27217661

Ejemplares similares