Abstract
AbstractResveratrol, a natural product derived from grapes, is a phytoalexin with antioxidative activity. In this work we present initial results of an ongoing study of the geometry of the ground state and of the first two (singlet and triplet) excited states of resveratrol and the structurally related compounds diethyl‐stilbestrol‐stilbene and trans‐stilbene. The molecular geometries were optimized both at the semiempirical and ab initio (restricted Hartree–Fock/6‐31G*) levels, and the corresponding absorption spectra were calculated using the intermediate neglect of differential overlap/ spectroscopically parameterized with interaction of configurations (INDO/S‐CI) methodology. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 213–218, 2003
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
