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The electronic structure of ESCA spectra of curium dioxide

✍ Scribed by V.A. Gubanov; A.K. Chirkov

Publisher: Elsevier Science
Year: 1978
Weight: 154 KB
Volume: 14
Category: Article
ISSN: 0020-1650
DOI: 10.1016/0020-1650(78)80047-6

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## Abstract The all‐valence‐electron CNDO/2 calculations were performed for the three isomeric nitrophenols. Using the newly derived σ‐core charges and subsequently revising the valence‐state ionization potentials and one‐center two‐electron repulsion integrals, Pariser–Parr–Pople (PPP) CI calculat