Abstract
A new algorithm for computation of a matching polynomial is outlined. It has been successfully applied for evaluation of the topological resonance energy (TRE) of all fullerene isomers with up to, and including, 70 carbon atoms. The obtained results indicate a high correlation between TRE values and π-electronic energies (Eπ), which was found to be a consequence of the invariance of the reference energy values for a given size of isomers. A similar high correlation was established between TRE and Eπ values normalized to a number of carbon atoms, thus extending over different sizes of fullerene isomers. These results show that the resonance energy does not bring any new insight into stabilities of different fullerene isomers which is not already achieved by consideration of Eπ.
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 callMore From: Journal of Chemical Information and Computer Sciences
Disclaimer: 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.
