Cargando…
Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields
[Image: see text] Infrared spectroscopy can provide significant insight into the structures and dynamics of molecules of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theoretical calculations or simulations. We present here th...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7304875/ https://www.ncbi.nlm.nih.gov/pubmed/32271575 http://dx.doi.org/10.1021/acs.jctc.0c00126 |