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Computational molecular spectroscopy

Nature Reviews Methods Primers volume 1, Article number: 37 (2021) Cite this article

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This PrimeView highlights how computational approaches can be used to characterise medium-sized molecular systems investigated using different spectroscopic techniques, focusing on the role of computation to help understand spectroscopic phenomena and how accuracy and interpretability are coupled.

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Computational molecular spectroscopy. Nat Rev Methods Primers 1, 37 (2021). https://doi.org/10.1038/s43586-021-00040-3

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  • DOI: https://doi.org/10.1038/s43586-021-00040-3

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