A tuned LRC-DFT design of ambipolar diketopyrrolopyrrole-containing quinoidal molecules interesting for molecular electronics

  1. García, G.
  2. Granadino-Roldán, J.M.
  3. Hernández-Laguna, A.
  4. Garzón, A.
  5. Fernández-Gómez, M.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Année de publication: 2013

Volumen: 9

Número: 6

Pages: 2591-2601

Type: Article

DOI: 10.1021/CT4000845 GOOGLE SCHOLAR