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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Detalles Bibliográficos
Autores principales: Dinu, Dennis F., Podewitz, Maren, Grothe, Hinrich, Loerting, Thomas, Liedl, Klaus R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2020
Materias:
Regular Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7652801/
https://www.ncbi.nlm.nih.gov/pubmed/33192169
http://dx.doi.org/10.1007/s00214-020-02682-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7652801/
https://www.ncbi.nlm.nih.gov/pubmed/33192169
http://dx.doi.org/10.1007/s00214-020-02682-0

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