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Calculation and interpretation of electronic spectra of nitrophenols

โœ Scribed by A. E. Lutskii; N. I. Gorokhova


Book ID
112363594
Publisher
Springer
Year
1973
Tongue
English
Weight
404 KB
Volume
6
Category
Article
ISSN
0040-5760

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## Abstract The allโ€valenceโ€electron CNDO/2 calculations were performed for the three isomeric nitrophenols. Using the newly derived ฯƒโ€core charges and subsequently revising the valenceโ€state ionization potentials and oneโ€center twoโ€electron repulsion integrals, Pariserโ€“Parrโ€“Pople (PPP) CI calculat