Much has been made about JLW Thudichum's colorful, and one could say clairvoyant,
naming of sphingosine “in commemoration of the many enigmas which it presented to the …

We review the state-of-the art in dynamics calculations on the reactive scattering of H2 from
metal surfaces, which is an important model system of an elementary reaction that is …

We review the state-of-the-art in the theory of dissociative chemisorption (DC) of small gas
phase molecules on metal surfaces, which is important to modeling heterogeneous catalysis …

Great success has been achieved in the modeling of gas-surface elementary processes by
the use of the Born-Oppenheimer approximation. However, in metal surfaces low energy …

Electronically nonadiabatic interactions between molecules and metal surfaces are now well
known. Evidence is particularly clear from studies of diatomic molecules that molecular …

We review studies of molecular interactions and chemical reactions at metal surfaces,
emphasizing progress toward a predictive theory of surface chemistry and catalysis. For …

This perspective addresses four challenges facing theorists whose aim is to make
quantitatively accurate predictions for reactions of molecules on metal surfaces, and …

We present new experimental and theoretical results for reactive scattering of dihydrogen
from Cu (100). In the new experiments, the associative desorption of H 2 is studied in a …

Being able to calculate reaction barrier heights to within chemical accuracy (errors< 1
kcal/mol) is crucial to the accurate modeling of chemical reactions. Although accurate …

Predictive capability, accuracy, and affordability are essential features of a theory that is
capable of describing dissociative chemisorption on a metal surface. This type of reaction is …