Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

  1. Brémond, E.
  2. Savarese, M.
  3. Su, N.Q.
  4. Pérez-Jiménez, A.J.
  5. Xu, X.
  6. Sancho-García, J.C.
  7. Adamo, C.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Year of publication: 2016

Volume: 12

Issue: 2

Pages: 459-465

Type: Article

DOI: 10.1021/ACS.JCTC.5B01144 GOOGLE SCHOLAR

Sustainable development goals

Data source: Scopus