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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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書目詳細資料
發表在:J Chem Phys
Main Authors: Mulas, Giacomo, Falvo, Cyril, Cassam-Chenaï, Patrick, Joblin, Christine
格式: Artigo
語言:Inglês
出版: 2018
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在線閱讀: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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