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Coherent 2D-IR Spectroscopy of a Cyclic Decapeptide Antamanide. A Simulation Study of the Amide-I and A Bands

The two dimensional infrared photon echo spectrum of Antamanide (-(1)Val-(2)Pro-(3)Pro-(4)Ala-(5)Phe-(6)Phe-(7)Pro-(8)Pro-(9)Phe-(10)Pro-) in chloroform is calculated using an explicit solvent MD simulation combined with a DFT map for the effective vibrational Hamiltonian. Evidence for a strong intr...

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書誌詳細
主要な著者: Falvo, Cyril, Hayashi, Tomoyuki, Zhuang, Wei, Mukamel, Shaul
フォーマット: Artigo
言語:Inglês
出版事項: 2008
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC2632550/
https://ncbi.nlm.nih.gov/pubmed/18781709
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp801493y
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