Accessible approaches for vibrational zero point energy calculation of organoboron compounds
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DOI: 10.1016/j.vibspec.2020.103131
Abstract: Abstract In this paper, two empirical approaches were used to calculate vibrational zero-point energies (ZPEs) of organoboron compounds. Firstly, the contribution of boron atom has been determined and incorporated in the Schulman and Disch empirical… read more here.
Keywords: approaches vibrational; organoboron compounds; vibrational zero; zero point ... See more keywords