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- W2139635505 abstract "Structural and energetic properties are predicted for the six tridehydropyridinium cation isomers in their lowest-energy doublet and quartet states by using density functional, multireference second-order perturbation, and coupled-cluster theories. Doublet-quartet splittings and triradical stabilization energies are examined to gain insight into the degree of interaction between the three radical centers, with comparison being made to analogous tridehydrobenzenes." @default.
- W2139635505 created "2016-06-24" @default.
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- W2139635505 date "2008-05-27" @default.
- W2139635505 modified "2023-09-25" @default.
- W2139635505 title "Quantum Chemical Characterization of the Structures, Thermochemical Properties, and Doublet−Quartet Splittings of Tridehydropyridinium Cations" @default.
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- W2139635505 doi "https://doi.org/10.1021/jp801582y" @default.
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