Search Results - "Nassif, Wassim"

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  1. 1
    Scale factor database for the vibration frequencies calculated in M06-2X, one of the DFT methods

    Scale factor database for the vibration frequencies calculated in M06-2X, one of the DFT methods by Ünal, Yener, Nassif, Wassim, Özaydin, Burak Can, Sayin, Koray

    Published in Vibrational spectroscopy (01-01-2021)
    “…[Display omitted] •Vibrational frequency scale factor was revealed for M06-2X method.•191 molecules were used with their point group in the…”
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  2. 2
    Investigations of structural, spectral (IR, 1H-, 9F-, 11B-, 13C-, 15 N-, 17O-NMR) and anticancer properties of 5FU@B12N12 complexes

    Investigations of structural, spectral (IR, 1H-, 9F-, 11B-, 13C-, 15 N-, 17O-NMR) and anticancer properties of 5FU@B12N12 complexes by Aktaş, Ahmet, Nassif, Wassim, Sayin, Koray

    Published in Chemical papers (01-04-2021)
    “…B 12 N 12 nanocage was selected as a drug carrier for 5-fluorouracil (5FU). Both compounds were optimized B3LYP/6–31 + G(d) level in the water…”
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