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- W2018754407 abstract "Calculations carried out on five-membered ring systems using CCSD geometries and G3MP2B3 model chemistry energies confirm that the CβCβ′ formally single bond in the butadiene portion of the ring is linearly related over a large range of energies to the cyclic stabilization energy as measured by homomolecular homodesmotic reactions. The relationship covers an energy range of ±20 kcal/mol from the aromatic/antiaromatic crossover point and provides a very simple aromatic/antiaromatic descriptor." @default.
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- W2018754407 title "A linear bond length-stabilization energy relation for five-membered rings" @default.
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- W2018754407 doi "https://doi.org/10.1016/j.chemphys.2007.07.029" @default.
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