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Anharmonic vibrational spectroscopy of Polycyclic Aromatic Hydrocarbons (PAHs)
While powerful techniques exist to accurately account for anharmonicity in vibrational molecular spectroscopy, they are computationally very expensive and cannot be routinely employed for large species and/or at non-zero vibrational temperatures. Motivated by the study of Polycyclic Aromatic Hydroca...
Gardado en:
| Publicado en: | J Chem Phys |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2018
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6214506/ https://ncbi.nlm.nih.gov/pubmed/30316271 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5050087 |
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