Application of refined MO method to hafner's hydrocarbons
Abstract
Calculations have been made for Hafner's hydrocarbons using a refined form of the Hückel MO method in which dependence of 'Coulomb' integral on charge density and 'resonance' integral on bondlength via bond order have been allowed for in a selfconsistent manner. Bondlengths, π → πk̊ spectra, stability and reactivity of the molecules as given by the refined MO method have been compared with the simple Hückel MO method results. © 1964.
Publication Title
Tetrahedron
Recommended Citation
Chatterjee, H., & Ali, M. (1964). Application of refined MO method to hafner's hydrocarbons. Tetrahedron (12), 2829-2834. https://doi.org/10.1016/S0040-4020(01)98502-3
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