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Aqueous ionization energies associated with the 12 highest occupied molecular orbitals in 5′-dCMP−. Orbitals which are localized on the base, sugar, and the phosphate groups are designated B, S2, and P, respectively. The area containing diagonal lines corresponds to an unresolved energy region in the photoelectron spectrum of 1-MeC that contains bands arising from the B2, B3, and B4 orbitals.
