Search Results - "Haiwang Djefoulna, Victorien Hermann"
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Rotational thermodynamic parameters for asymmetric-top molecules: classical vs. quantum approaches and new analytical partition function
Published in Molecular physics (18-06-2022)“…We investigated classical and quantum rotational partition functions, rotational energies and rotational entropies for asymmetric-top molecules in a canonical…”
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Journal Article -
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Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions
Published in Theoretical chemistry accounts (01-11-2020)“…We investigated classical and quantum rotational partition functions, rotational energies and rotational entropies for linear-, spherical- and symmetric-top…”
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Journal Article