Loading...
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds
The recent implementation of the computation of IR intensities beyond the double-harmonic approximation [Bloino, J.; Barone, V. J. Chem. Phys. 2012, 136, 124108] paved the route to routine calculations of infrared spectra for a wide set of molecular systems. Halogenated organic compounds represent a...
Na minha lista:
| Udgivet i: | J Chem Phys |
|---|---|
| Main Authors: | , , , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2013
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4604659/ https://ncbi.nlm.nih.gov/pubmed/23968095 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4817401 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|