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• W1979909511 abstract "The assignment of the alternancy quantum number to the N-electron states of neutral alternant hydrocarbons is discussed within the spin-free unitary group formulation. Alternancy is defined with respect to both molecular graphs and molecular orbital eigenvalues. The properties of the molecular orbitals of alternant hydrocarbons result from requiring the assignments in terms of atomic orbital and molecular orbital Gel'fand states to be consistent. State correlation arguments are used to remove the arbitrary phase factor present in previous treatments." @default.
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• W1979909511 date "1977-12-01" @default.
• W1979909511 modified "2023-09-28" @default.
• W1979909511 title "Spin-Free quantum chemistry. XX. The alternancy quantum number" @default.
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• W1979909511 doi "https://doi.org/10.1002/qua.560120604" @default.
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