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• W2028165380 abstract "Tautomeric equilibria of the 2-pyridone/2-hydroxypyridine are studied using the coupled-cluster method with single, double, and triple excitations. The 0 K total energy difference is estimated to be 3.5 kcal/mol in favor of the hydroxy form." @default.
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• W2028165380 date "1989-09-01" @default.
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• W2028165380 title "Tautomeric equilibria of 2-pyridone/2-hydroxypyridine. Ab initio coupled cluster calculations with first-order correlation orbitals" @default.
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• W2028165380 doi "https://doi.org/10.1016/s0009-2614(89)87034-4" @default.
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