Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: The pyridine case

  1. Ramos-Berdullas, N.
  2. Pérez-Juste, I.
  3. Van Alsenoy, C.
  4. Mandado, M.
Revista:
Physical Chemistry Chemical Physics

ISSN: 1463-9076

Ano de publicación: 2015

Volume: 17

Número: 1

Páxinas: 575-587

Tipo: Artigo

DOI: 10.1039/C4CP02341B GOOGLE SCHOLAR