TY  - JOUR 
AU  - Alducin, Maite
AU  - Juaristi, J. Iñaki
AU  - Granja del Río, Alejandra
AU  - López Santodomingo, María José
AU  - Alonso Martín, Julio Alfonso
PY  - 2019
SN  - 1932-7447
UR  - https://uvadoc.uva.es/handle/10324/63854
AB  - Ab initio dynamical simulations based on the density functional formalism have been performed for molecular hydrogen impinging on a Pd6 cluster anchored to a vacancy defect in graphene. Under the conditions assumed in the simulations, most H2...
LA  - eng
TI  - Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption
DO  - 10.1021/acs.jpcc.9b00787
ER  -