Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT

  1. Price, A.J.A.
  2. Mayo, R.A.
  3. Otero-De-la-Roza, A.
  4. Johnson, E.R.
Journal:
CrystEngComm

ISSN: 1466-8033

Year of publication: 2023

Volume: 25

Issue: 6

Pages: 953-960

Type: Article

DOI: 10.1039/D2CE01594C GOOGLE SCHOLAR
Data source: Scopus