Ładuje się......
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups
[Image: see text] In this paper, we show that the standard second-order vibrational perturbation theory (VPT2) for Abelian groups can be used also for non-Abelian groups without employing specific equations for two- or threefold degenerate vibrations but rather handling in the proper way all the deg...
Zapisane w:
| Wydane w: | J Chem Theory Comput |
|---|---|
| Główni autorzy: | , , |
| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
American
Chemical Society
2021
|
| Dostęp online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8280743/ https://ncbi.nlm.nih.gov/pubmed/34085530 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.1c00240 |
| Etykiety: |
Dodaj etykietę
Nie ma etykietki, Dołącz pierwszą etykiete!
|