An open-source implementation of a quasi harmonic approach to compute the intramolecular entropy of particle systems

Evangelos Voyiatzis, Michael C. Böhm. An open-source implementation of a quasi harmonic approach to compute the intramolecular entropy of particle systems. Computer Physics Communications, 234:286-293, 2019. [doi]

Authors

Evangelos Voyiatzis

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Michael C. Böhm

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