Vibrational Spectroscopic Investigation and Molecular Structure of a 5α-Reductase Inhibitor: Finasteride

    January 2020 in “ Química Nova
    Linjie Wang, William J. Zeng, Song Gao
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    Studysummary This study used Density Functional Theory-based computational methods to analyze finasteride's molecular properties, finding that the GGA/PW91 method closely matches experimental data for vibrational frequencies and geometric parameters.
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