Browsing by Author "293337c2-c3ff-4191-8775-04fb0fcf7703"

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    • Theoretical investigation of the molecular structure and molecular docking of etoricoxib 
      Sadasivam, Kandasamy; Salgado Morán, Guillermo; Mendoza Huizar, Luis Humberto; Cardona Villada, Wilson; Gerli Candia, Lorena; Meneses Olmedo, Lorena Maribel; Cuesta Hoyos, Sebastián (Soc Chilena Química, 2020)
      In this work, a computational chemical study of Etoricoxib was carried out at the X/6311G(d,p) (where X=B3LYP, M06 and omega B97XD) level of theory, at the gas, aqueous and ethanol phases. Through the chemical reactivity ...