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• W2025979214 abstract "The CNDO-MO formalism has been used to study the ground- and excited-state properties of unsubstituted metallocenes of the first-row transition-metal ions. The multi-electron configuration interaction (MECI) method has been applied to the calculation of both photo-electron and absorption spectra and the agreement with experiment is satisfactory. The electronic properties of the metalloceneseries are described and the variations in the bonding schemes within the series are rationalised." @default.
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• W2025979214 date "1976-05-01" @default.
• W2025979214 modified "2023-09-26" @default.
• W2025979214 title "A molecular-orbital study of the ground and excited-state properties of metallocenes of the first-row transitionmetal ions. I" @default.
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• W2025979214 doi "https://doi.org/10.1016/s0022-328x(00)87132-6" @default.
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