In:
Vietnam Journal of Science and Technology, Publishing House for Science and Technology, Vietnam Academy of Science and Technology (Publications), Vol. 59, No. 1 ( 2021-01-15), p. 19-29
Abstract:
The molecular properties of apigenin, luteolin and nevadensin which are three naturally flavonoid compounds have been studied theoretically by DFT method at 6-311++G(d,p) level. Both FMO analysis, mechanism, and kinetics studied suggested that compound Luteolin (compound 3) was a promising antioxidant agent. The results indicated that HAT is thermodynamically preferred in the gas phase, and SPLET is the thermodynamically favorable pathway in methanol and water
Type of Medium:
Online Resource
ISSN:
2525-2518
,
2525-2518
DOI:
10.15625/2525-2518/59/1/15472
Language:
Unknown
Publisher:
Publishing House for Science and Technology, Vietnam Academy of Science and Technology (Publications)
Publication Date:
2021