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- W1969744135 abstract "Calculations of the satellite structure in the nitrogen and oxygen 1s photoelectron spectra of p-nitroaniline are described, using ab initio methods including configuration interaction. The use of basis MOs optimized both for the neutral molecule and for the appropriate core-hole state is investigated. An intense satellite associated with both N1s(NO2) and O1s ionization is predicted, arising from states in which the 5b1(π) MO, localized on the NO2 group and unsaturated ring, is occupied." @default.
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- W1969744135 date "1984-02-01" @default.
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- W1969744135 title "Theoretical study of the satellite structure in the N1s and O1s photoelectron spectra of p-nitroaniline" @default.
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- W1969744135 doi "https://doi.org/10.1016/0301-0104(84)85204-0" @default.
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