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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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Bibliografski detalji
Izdano u:J Chem Phys
Glavni autori: Mulas, Giacomo, Falvo, Cyril, Cassam-Chenaï, Patrick, Joblin, Christine
Format: Artigo
Jezik:Inglês
Izdano: 2018
Teme:
Online pristup: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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