How Reliable Are Modern Density Functional Approximations to Simulate Vibrational Spectroscopies?

  1. Sitkiewicz, S.P.
  2. Zaleśny, R.
  3. Ramos-Cordoba, E.
  4. Luis, J.M.
  5. Matito, E.
Journal:
The journal of physical chemistry letters

ISSN: 1948-7185

Year of publication: 2022

Volume: 13

Issue: 25

Pages: 5963-5968

Type: Article

DOI: 10.1021/ACS.JPCLETT.2C01278 GOOGLE SCHOLAR lock_openOpen access editor

Sustainable development goals

Data source: Scopus