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• W2023342748 startingPage "609" @default.
• W2023342748 abstract "Results of quantum chemical calculations which take account of the full molecular symmetry are often at variance with the experimentally preferred assignments of the valence He(I) photoelectron spectra of molecules containing two or more symmetry-related cyano groups. It is demonstrated how on the basis of Hartree-Fock-Slater calculations the broken symmetry concept removes previous discrepancies in the assignment of the Se(CN)2 spectrum. Even in the outer valence region breaking the symmetry may have appreciable effects in the case of strongly localized orbitals." @default.
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• W2023342748 date "1982-06-20" @default.
• W2023342748 modified "2023-10-16" @default.
• W2023342748 title "Broken symmetry effects in the He(I) valence photoelectron spectrum of Se(CN)₂" @default.
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• W2023342748 doi "https://doi.org/10.1080/00268978200101431" @default.
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