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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...

詳細記述

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書誌詳細
出版年:J Chem Phys
主要な著者: Mulas, Giacomo, Falvo, Cyril, Cassam-Chenaï, Patrick, Joblin, Christine
フォーマット: Artigo
言語:Inglês
出版事項: 2018
主題:
オンライン・アクセス: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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