Vivier-Bunge A. – TechConnect Briefs

OH Radical Oxidation of Ethylene Adsorbed on Graphene: A Quantum Chemistry Study

Iuga C., Vivier-Bunge A., Universidad Autónoma Metropolitana, MX

The functionalization of carbon based nanomaterials could have applications in atmospheric chemistry and contaminants removal. In this work, a quantum chemistry and computational kinetics study has been performed on the OH radical addition to ethylene [...]

Theoretical Study of the Reaction between OH Radicals and Formaldehyde adsorbed on Small Silica Clusters

Iuga C., Vivier-Bunge A., Universidad Autónoma Metropolitana, MX

Heterogeneous reactions of atmospheric gases on aerosol particles may play an important role in atmospheric chemistry. However, the kinetics and mechanisms of adsorption and reaction of atmospheric gases on aerosol surfaces are not well understood. [...]

Theoretical Study of the Reaction between OH Radicals and Formaldehyde adsorbed on Small Silica Clusters

Iuga C., Vivier-Bunge A., Universidad Autónoma Metropolitana, MX

Heterogeneous reactions of atmospheric gases on aerosol particles may play an important role in atmospheric chemistry. However, the kinetics and mechanisms of adsorption and reaction of atmospheric gases on aerosol surfaces are not well understood. [...]