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Theoretical study of intramolecular hydrogen bonding in the halo derivatives of 1-amino-3-imino-prop-1-ene
Year: 2013
Abstract:
Intramolecular hydrogen bonding (IHB) of 1-amino-3-imino-prop-1-ene (AIP), as the simplest
resonance-assisted hydrogen bond system in symmetric N–H· · ·N class, and its halo derivatives (F, Cl, and
Br) have ...
Conformational stability, barriers to internal rotations, and normal coordinate analysis of acetone and its 2H-isotopomers
Year: 2016
Abstract:
Abstract: Molecular structure and vibrational spectra of acetone, acetone-d3, and acetone-d6 were investigated by means of ab initio and density functional theory (DFT) calculations. The harmonic and anharmonic vibrational ...



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