Abstract
Density functional calculations utilising the B3LYP functional are used to calculate geometries together with 1H, 13C and 17O isotropic coupling constants for p-benzosemiquinone, durosemiquinone and plastosemiquinone anion radicals. Comparison of results obtained with experimental determinations indicates excellent agreement between theory and experiment.
Sign-in/Register to access full text options 
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.
