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
- Ramos-Berdullas, N.
- Pérez-Juste, I.
- Van Alsenoy, C.
- Mandado, M.
ISSN: 1463-9076
Ano de publicación: 2015
Volume: 17
Número: 1
Páxinas: 575-587
Tipo: Artigo