Assessment of the potential energy hypersurfaces in thymine within multiconfigurational theory: CASSCF vs. CASPT2

  1. Segarra-Martí, J.
  2. Francés-Monerris, A.
  3. Roca-Sanjuán, D.
  4. Merchán, M.
Journal:
Molecules

ISSN: 1420-3049

Year of publication: 2016

Volume: 21

Issue: 12

Type: Article

DOI: 10.3390/MOLECULES21121666 GOOGLE SCHOLAR lock_openOpen access editor
Data source: Scopus