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Methods for Calculating Partition Functions of Molecules Involving Large Amplitude and/or Anharmonic Motions

D Skouteris1, D Calderini1,2, V Barone1

  • 1Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy.

Journal of Chemical Theory and Computation
|January 15, 2016
PubMed

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