Theoretical DFT calculations were used for the study of o-, m- and p-aminobenzoic acids, optimizing the geometric structures, and determining the thermodynamic stability of the studied compounds. The value of the variation ...

In this paper, the antioxidant capacity of the polyphenol 3,4,4΄-trihydroxy-trans-stilbene (3,4,4΄-TSH) was theoretically determined, using the GAUSSIAN 09 software package, applying the DFT method with the hybrid ...