Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations

  1. Wilson, J.
  2. Faginas-Lago, N.
  3. Vekeman, J.
  4. Cuesta, I.G.
  5. Sánchez-Marín, J.
  6. Sánchez de Merás, A.
Aldizkaria:
ChemPhysChem

ISSN: 1439-7641 1439-4235

Argitalpen urtea: 2018

Alea: 19

Zenbakia: 6

Orrialdeak: 774-783

Mota: Artikulua

DOI: 10.1002/CPHC.201701387 GOOGLE SCHOLAR