The electronic structure, spectra, and r
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K. P. Krishnan Namboodiri; S. Viswanathan; R. Ganesan; V. C. Jyothi Bhasu
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Article
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1981
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John Wiley and Sons
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English
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## Abstract The allโvalenceโelectron CNDO/2 calculations were performed for the three isomeric nitrophenols. Using the newly derived ฯโcore charges and subsequently revising the valenceโstate ionization potentials and oneโcenter twoโelectron repulsion integrals, PariserโParrโPople (PPP) CI calculat