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]

@article{VoyiatzisB19,
  title = {An open-source implementation of a quasi harmonic approach to compute the intramolecular entropy of particle systems},
  author = {Evangelos Voyiatzis and Michael C. Böhm},
  year = {2019},
  doi = {10.1016/j.cpc.2018.07.006},
  url = {https://doi.org/10.1016/j.cpc.2018.07.006},
  researchr = {https://researchr.org/publication/VoyiatzisB19},
  cites = {0},
  citedby = {0},
  journal = {Computer Physics Communications},
  volume = {234},
  pages = {286-293},
}