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• W2024297932 startingPage "387" @default.
• W2024297932 abstract "Ab initio MCSCF calculations of the potential energy curves of the first low-lying states of the CO2+ dication have been performed. A localization procedure of MCSCF orbitals allows us to discuss the bond formation in the framework of valence-bond theory. The non-adiabatic curves corresponding to C+ + O+, C2+ + O and C + O2+ are described using both orthogonal and non-orthogonal quasi-atomic orbitals, allowing us to re-examine the currently proposed models of bond formation between positively charged species." @default.
• W2024297932 created "2016-06-24" @default.
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• W2024297932 date "1991-06-01" @default.
• W2024297932 modified "2023-09-25" @default.
• W2024297932 title "Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO2+ case" @default.
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• W2024297932 doi "https://doi.org/10.1016/0301-0104(91)80052-j" @default.
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