Issue 0, 1970

Calculation of ionization potential of some alternant hydrocarbon molecules and radicals by extended Hückel theory

Abstract

The extended Hückel theory developed by F. E. Harris has been used to calculate the ionization potential of some alternant hydrocarbon molecules and radicals; the values so obtained have been compared with those calculated by Pople's SCF MO theory and also with the ones obtained experimentally.

Article information

Article type
Paper

J. Chem. Soc. A, 1970, 997-998

Calculation of ionization potential of some alternant hydrocarbon molecules and radicals by extended Hückel theory

B. Krishna and S. P. Gupta, J. Chem. Soc. A, 1970, 997 DOI: 10.1039/J19700000997

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