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  1. No Access

    Article

    A detail investigation of synergistic effects between the intramolecular hydrogen bond and π-electron delocalization in 3-hydroxy prop-2-en thial and its derivatives

    In the present work, a detailed investigation of synergistic effects between the intramolecular hydrogen bond (IMHB) and π-electron delocalization (π-ED) of 3-hydroxy prop-2-en thial (HPT) and its halogenated ...

    A. Nowroozi, M. R. Housaindokht, E. Nakhaei in Structural Chemistry (2021)

  2. No Access

    Article

    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)