Browsing by Author "Kharkar, Prashant"

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Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus

Rhyman, Lydia; Tursun, Mahir; Abdallah, Hassan H.; Choong, Yee Siew; Parlak, Cemal; Kharkar, Prashant; Ramasami, Ponnadurai (Walter De Gruyter GMBH, 2019)

Density functional theory (DFT) method was used to compute the structural and vibrational parameters of favipiravir (T-705) in the gas phase. The functional used was B3LYP in conjuction with the 6-311++G(d,p) basis set. ...