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Simulating highly activated sticking of H2 on Al(110)
SBH17
Accurate modeling of the dynamics of dissociative chemisorption on metal surfaces
Highly efficient activation of HCl dissociation on Au(111) via rotational preexcitation
Density functional theory for molecule–metal surface reactions: when does the generalized gradient approximation get it right, and what to do if it does not
Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)
Dynamical Study of the Dissociative Chemisorption of CHD3 on Pd(111)
Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD3 + Cu(111)
Curious mechanism of the dissociative chemisorption of ammonia on Ru(0001)
An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation
Dissociation of CHD3 on Cu(111) Cu(211) and single atom alloys of Cu(111)