Toward Reliable and Insightful Entropy Calculations on Flexible Molecules

  1. Díaz, N.
  2. Suárez, D.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Year of publication: 2022

Volume: 18

Issue: 12

Pages: 7166-7178

Type: Article

DOI: 10.1021/ACS.JCTC.2C00858 GOOGLE SCHOLAR