Anharmonic Infrared Spectra of Thermally Excited Pyrene (C16H10): A Combined View of DFT-Based GVPT2 with AnharmonicCaOs, and Approximate DFT Molecular dynamics with DemonNano (English)
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2021
- Research Data / Electronic Resource
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Title:Anharmonic Infrared Spectra of Thermally Excited Pyrene (C16H10): A Combined View of DFT-Based GVPT2 with AnharmonicCaOs, and Approximate DFT Molecular dynamics with DemonNano
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Contributors:
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Publication date:2021-04-01
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Remarks:Journal of Molecular Spectroscopy 378 111466
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DOI:
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Type of media:Research Data
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Type of material:Electronic Resource
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Language:English
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