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physics.chem-ph2011★ 32 cited
Molecular dynamics simulations of D2O ice photodesorption
C. Arasa, S. Andersson, H. M. Cuppen +2
Molecular dynamics calculations have been performed to study the ultraviolet photodissociation of D2O in an amorphous D2O ice surface at 10-90 K, in order to investigate the influe…
physics.chem-ph2008★ 54 cited
Kinetic Monte Carlo Studies of Hydrogen Abstraction from Graphite
H. M. Cuppen, L. Hornekaer
We present Monte Carlo simulations on Eley-Rideal abstraction reactions of atomic hydrogen chemisorbed on graphite. The results are obtained via a hybrid approach where energy barr…