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.
Aldizkaria:
Molecules

ISSN: 1420-3049

Argitalpen urtea: 2016

Alea: 21

Zenbakia: 12

Mota: Artikulua

DOI: 10.3390/MOLECULES21121666 GOOGLE SCHOLAR lock_openSarbide irekia editor
Datuen iturria: Scopus