DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

[Image: see text] A combined experimental and theoretical approach, consisting of lattice phonon Raman spectroscopy and density functional theory (DFT) calculations, is proposed as a tool for lattice dynamics characterization and polymorph phase identification. To illustrate the reliability of the m...

Descripción completa

Detalles Bibliográficos
Autores principales: Bedoya-Martínez, Natalia, Schrode, Benedikt, Jones, Andrew O. F., Salzillo, Tommaso, Ruzié, Christian, Demitri, Nicola, Geerts, Yves H., Venuti, Elisabetta, Della Valle, Raffaele Guido, Zojer, Egbert, Resel, Roland
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5545759/
https://www.ncbi.nlm.nih.gov/pubmed/28731723
http://dx.doi.org/10.1021/acs.jpclett.7b01634

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5545759/
https://www.ncbi.nlm.nih.gov/pubmed/28731723
http://dx.doi.org/10.1021/acs.jpclett.7b01634

Ejemplares similares