Prediction of procarbazine adsorption on the hydroxyethyl cellulose: A density functional theory study
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DOI: 10.1016/j.comptc.2021.113250
Abstract: Abstract An extensive isomer search was performed to investigate the adsorption configurations of procarbazine on the hydroxyethyl cellulose (HEC) at M06-2X/6-31++G(d,p) level of theory. The adsorption of procarbazine on the HEC is exergonic (ΔGads read more here.
Keywords: hydroxyethyl cellulose; theory; prediction procarbazine; adsorption ... See more keywords