New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling

  1. Pérez-Tabero, S.
  2. Fernández, B.
  3. Cabaleiro-Lago, E.M.
  4. Martínez-Núñez, E.
  5. Vázquez, S.A.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Year of publication: 2021

Volume: 17

Issue: 9

Pages: 5556-5567

Type: Article

DOI: 10.1021/ACS.JCTC.1C00365 GOOGLE SCHOLAR lock_openOpen access editor