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Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112879
Abstract: Abstract In this paper, we determine the vibrational partition function using improved energy spectrum obtained recently via the path integral formalism. Based on that, we compute the thermodynamic properties of the O2 and H2 molecules,…
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Keywords:
thermodynamic properties;
multi parameter;
properties molecules;
molecules multi ... See more keywords