Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis

  1. Pérez-Barcia, A.
  2. Cárdenas, G.
  3. Nogueira, J.J.
  4. Mandado, M.
Journal:
Journal of Chemical Information and Modeling

ISSN: 1549-960X,  1549-9596

Year of publication: 2023

Volume: 63

Issue: 3

Pages: 882-897

Type: Article

DOI: 10.1021/ACS.JCIM.2C01184 GOOGLE SCHOLAR lock_openOpen access editor
Data source: Scopus