The net rate of a reversible chemical reaction is the difference between unidirectional rates
of traversal along forward and reverse reaction paths. In a multistep reaction sequence, the …

The apparent activation energy of chemical reactions has played a central role in the field of
chemical kinetics and has served as an important tool for analyzing and understanding …

The reaction mechanisms of heterogeneous hydroformylation of ethylene and propylene
were compared at 413–453 K using RhCo3/MCM-41 as catalysts. The reaction rates of …

Automatic mechanism generation is used to determine mechanisms for the CO2
hydrogenation on Ni (111) in a two-stage process while considering the correlated …

To investigate the alloying effects of the Cu catalyst, we performed extensive density
functional theory (DFT) calculations to study the reaction mechanisms of ethanol …

The critical challenge for fundamental research in heterogeneous catalysis and
electrocatalysis is to 2 discover atomistic-scale phenomena (eg elementary step …

Microkinetic analysis can establish the relationship between the atomic-level reaction
mechanism and macroscopic observables, such as reaction rates, product selectivity, Tafel …

Abstract The Langmuir-Hinshelwood formalism describes catalytic reactions of Langmuirian
surface species under the assumption that all adsorbates are randomly-distributed–enabling …

Kinetic isotope effects (KIEs) have been used for decades in catalysis research as a tool for
clarifying reaction mechanisms. Significant primary kinetic isotope effects have usually been …

Kinetic observables such as the Tafel slope, apparent activation energy, and apparent
reaction orders all provide mechanistic fingerprints for electrocatalytic processes. Here, we …