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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: 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: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5545759/
https://ncbi.nlm.nih.gov/pubmed/28731723
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.7b01634
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!

Registos relacionados