Theoretical and experimental spectroscopic studies of monomeric and dimeric structures of 4-hydroxybenzamide
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DOI: 10.1016/j.molstruc.2020.127742
Abstract: Abstract 4-Hydroxybenzamide (4HBM) molecule was optimized geometrically and vibrational spectral analyses of monomer and dimer structures have been reported by DFT calculations using B3LYP/6–311++G(d,p) level of theory. The molecular structural parameters of the title compound… read more here.
Keywords: spectroscopic studies; monomeric dimeric; theoretical experimental; studies monomeric ... See more keywords