Paper
QUANTUM-CHEMICAL CALCULATION OF THE N-(3,5-NI-TERT-BUTYL-2-HYDROXYPHENYL)-4-METHYLBENZENESULFONAMIDE WITH ANTIOXIDANT ACTIVITY
Published May 19, 2022 ยท Sun Peiming, S. Shahab, Zhang Yan
SAKHAROV READINGS 2022: ENVIRONMENTAL PROBLEMS OF THE XXI CENTURY Part 2
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Abstract
This paper represents theoretical calculations applied to newly synthetized of N-(3,5-di-tert-butyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide compounds for defining their optimized state, predicting its free energy, and distinguishing molecular orbitals participating in spectrum formation.
N-(3,5-di-tert-butyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide compounds show antioxidant activity and can be optimized for their optimal state through quantum-chemical calculations.
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