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On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations
The key feature of matrix-isolation infrared (MI-IR) spectroscopy is the isolation of single guest molecules in a host system at cryogenic conditions. The matrix mostly hinders rotation of the guest molecule, providing access to pure vibrational features. Vibrational self-consistent field (VSCF) and...
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| Publicado no: | Theor Chem Acc |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7652801/ https://ncbi.nlm.nih.gov/pubmed/33192169 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-020-02682-0 |
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