Cargando…
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine
The interpretation of molecular vibrational spectroscopic signals in terms of atomic motion is essential to understand molecular mechanisms and for chemical characterization. The signals are usually assigned after harmonic normal mode analysis, even if molecular vibrations are known to be anharmonic...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7455743/ https://www.ncbi.nlm.nih.gov/pubmed/32859910 http://dx.doi.org/10.1038/s41467-020-18211-3 |