文摘
Molecular modeling at B3LYP/6-31G+(d,p) of oximes, amidoximes and hidroxamic acids. QTAIM calculations characterizing intramolecular hydrogen bonds of oximes and derivatives. QSPR study of α-nucleophiles powerful against organophosphorus poisoning. Intramolecular hydrogen bonds and E-Dragon descriptors related to nucleophilic power.