A carregar...
Simulation of vibronic spectra of flexible systems: hybrid DVR-harmonic approaches
Our general framework for the simulation of vibrational signatures in electronic spectra has been extended to treat one large-amplitude motion (LAM) at the anharmonic level, coupled to the other small amplitude motions (SAM) treated as harmonic. The coupling between LAM and SAM is minimized thanks t...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5732573/ https://ncbi.nlm.nih.gov/pubmed/28467703 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00236 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|