Browsing Research Output by Subject "AIM analysis"
Now showing items 1-3 of 3
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A theoretical study on the antioxidant properties of methoxy-substituted chalcone derivatives: a case study of kanakugiol and pedicellin through their Fe (II and III) coordination ability
(World Scientific Publishing, 2016)A theoretical study on the antioxidant properties of two chalcone derivatives, kanakugiol and pedicellin, is performed by considering their Fe2+ and Fe3+ coordination ability. The objective of the study is to elucidate the ... -
A computational study of pyrazinamide: Tautomerism, acid–base properties, micro–solvation effects and acid hydrolysis mechanism
(Elsevier, 2014)Pyrazinamide (PZA) is a prodrug substance utilised in the treatment of tuberculosis related to mycobacterium strains. The activities of this compound are said to occur in acidic medium where it is converted to the active ... -
A computational study of pyrazinamide: tautomerism, acid–base properties, micro–solvation effects and acid hydrolysis mechanism
(Elsevier, 2014)Pyrazinamide (PZA) is a prodrug substance utilised in the treatment of tuberculosis related to mycobacterium strains. The activities of this compound are said to occur in acidic medium where it is converted to the active ...