ListarArtículos científicos por tema "TDDFT"
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A novel series of pyrazole derivatives toward biological applications: experimental and conceptual DFT characterization (2021)
(Springer Science and Business Media Deutschland GmbH, 2021)Abstract: A new series of 13 pyrazole-derivative compounds with potential antifungal activity were synthetized with good yields. The series have the (E)-2-((1-(R)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)phenol general structure ... -
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