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    A comprehensive theoretical study of tautomeric and conformeric preferences, intramolecular hydrogen bonding, and π-electron delocalization in β-selenoaminoacrolein with its thio and oxo analogs

    The quantum chemical study of various aspects of β-selenoaminoacrolein, β-thioaminoacrolein, and β-aminoacrolein was performed at various theoretical levels, HF, B3LYP, and MP2 with 6-311++G(3df,3pd) basis set...

    A. Nowroozi, S. Sarhadinia, E. Masumian, E. Nakhaei in Structural Chemistry (2014)