Abstract
Abstract A method for computation of the topological resonance energy (TRE) of linear polyacenes is described. When the length of the polyacene chain increases, TRE tends to 0.02 β units per π-electron, contrary to a previous prediction [1]. The ionization potential and the energy of the p-band of linear polyacenes are found to be excellently correlated with TRE.
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.
