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.
Zdroj: In Journal of Molecular Structure: THEOCHEM 2005 728(1):117-122
Databáze: ScienceDirect