6 citations
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August 2014 in “Spectroscopy Letters” This study reported that the calculated and experimental electronic and vibrational properties of minoxidil were in good agreement, providing detailed insights into its molecular structure and thermal behaviors.
December 2014 in “CVR Journal of Science & Technology” This study identified various functional groups and chemical constituents in dried leaves of the medicinal plant Bhringaraj, suggesting their potential use in developing wastewater treatment technologies.
January 2020 in “Química Nova” 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.
This study introduced a new computational method for simulating vibrational frequencies, finding that the multi-molecular fragment model showed the best agreement with experimental data for Finasteride, Lamivudine, and Repaglinide, outperforming traditional models in accuracy.
3 citations
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September 2021 in “Data in brief” This study observed that bleaching brown human hair with persulfate salts and hydrogen peroxide induced significant conformational changes in keratin, particularly affecting disulfide bridges and oxidized sulfur species, which may inform the development of hair restorative treatments.