-
Probing the Kinetics and Liquid Structure of Toluene Hydrogenation by Pt/MCM-41
In a proof-of-concept beamtime award (RB1220486) we studied the process of platinum-catalysed benzene hydrogenation in the pores of MCM-41 using standard neutron diffraction... -
The Effect of Polydispersity on the Self Assembly of Diblock Copolymers
Block copolymers are of interest due to their ability to undergo microphase separation. Originally block copolymers were produced with a low polydispersity index (PDI) as they... -
A variational formulation of the Harris functional as correction to linear-sc...
Accurate descriptions of intermolecular interactions are of great importance in simulations of molecular liquids. We present a novel method that combines in a variational... -
A variational formulation of the Harris functional as correction to approxima...
Accurate descriptions of intermolecular interactions are of great importance in simulations of molecular liquids. We present an electronic structure method that combines the...
