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.
Revue:
Journal of Chemical Information and Modeling

ISSN: 1549-960X,  1549-9596

Année de publication: 2023

Volumen: 63

Número: 3

Pages: 882-897

Type: Article

DOI: 10.1021/ACS.JCIM.2C01184 GOOGLE SCHOLAR lock_openAccès ouvert editor
La source de données: Scopus