GIAO-NMR spectroscopy of the xanthine’s structures in water solution using S-MC/QM methodology: An evaluation of the DFT-functionals’ efficiency

Elsevier, Journal of Molecular Liquids, (347), p. 117955, 2022

Journal article published in 2022 by Guilherme Colherinhas

, Zélia M. da Costa Ludwig

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