Abstract
This paper reports on the results of ab initio unrestricted Hartree-Fock (UHF) calculations of the equilibrium geometry and binding energy for the transition-metal complexes Me(C5H5)2 and Me(C6H6)2 and the energetically stable metallofullerene complexes Me(C60)2, where Me=Ti, V, Cr, Fe, and Ni. The calculation technique is worked out using the ferrocene molecule. The calculated geometry and binding energy agree satisfactorily with the experimental data.
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.
