Role of solvent effects on nucleophilic substitution of 4 H-pyran-4-one and its 2,6-dimethyl derivative with hydroxide ion in aqueous solution: ab initio and density functional theory studies on a supermolecular reaction model
Autor: | Kóňa, Juraj, Zahradník, Pavol, Kozmon, Stanislav, Fabian, Walter M.F. |
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Zdroj: | In Journal of Molecular Structure: THEOCHEM 2005 728(1):117-122 |
Databáze: | ScienceDirect |
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