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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… Click to show full 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
Keywords:
hydroxyethyl cellulose;
theory;
prediction procarbazine;
adsorption
Journal Title: Computational and Theoretical Chemistry
Year Published: 2021
Link to full text (if available)
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Journal Title: Computational and Theoretical Chemistry
Year Published: 2021
Link to full text (if available)
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recommendations!