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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...

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Publicat a:J Chem Phys
Autors principals: Mulas, Giacomo, Falvo, Cyril, Cassam-Chenaï, Patrick, Joblin, Christine
Format: Artigo
Idioma:Inglês
Publicat: 2018
Matèries:
Accés en línia: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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