Articles with "molecules multi" as a keyword



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Computing thermodynamic properties of the O2 and H2 molecules with multi-parameter exponential-type potential

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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,… read more here.

Keywords: thermodynamic properties; multi parameter; properties molecules; molecules multi ... See more keywords