S

ST Bromley

72 records found

Hydrogen adsorption isotherms in clathrasils

Single-crystal organic field-effect transistors based on dibenzo-tetrathiafulvalene

A molecular dynamics-based approach to study the anisotropic self-diffusion of molecules in porous materials with multiple cage types: application to H2 in Losod

Adsorption isotherms of H2 in microporous materials with the SOD structure: A grand canonical Monte Carlo study

New materials from fully coordinated SiO2 nanoclusters
Journal article (2005) - ST Bromley (author), E Flikkema (author)

Thermodynamic limits on hydrogen storage in sodalite framework materials: a molecular mechanics investigation

Interaction of SiO2 with single-walled carbon nanotubes
Journal article (2005) - JC Wojdel (author), ST Bromley (author)

Columnar-to-disk structural transition in nanoscale (Si)2) (N) clusters
Journal article (2005) - ST Bromley (author), E Flikkema (author)

Self-diffusion of molecular hydrogen in clathrasils compared: dodecasil 3C versus sodalite

Periodic and cluster calculations of cyanometallates: interplay between different methods in understanding catalytic mechanisms

Molecular hydrogen confined within nanoporous framework materials: comparison of density functional and classical force-field descriptions

From cluster calculations to molecular materials: a mixed pseudopotential approach to modeling mixed-valence systems
Journal article (2005) - JC Wojdel (author), ST Bromley (author)

Novel structures and energy spectra of hydroxylated (SiO2)8-based clusters: searching for the magic (SiO2)8O2H3 cluster
Journal article (2005) - ST Bromley (author), E Flikkema (author)

The application of force field methods for modelling hydrogen diffusion in clathrasils

Exploring the low energy landscape of silica nanoclusters using global optimisation and electronic structure calculations

Effect of cation distribution on self-diffusion of molecular hydrogen in Na3Al3Si3O12 sodalite: A molecular dynamic study

Towards understanding the energetics and topology of zeolites, a polyhedral approach

Clathrasils as potential hydrogen storage materials

Towards understanding the energetics of zeolitic materials

Diffusion of Molecular Hydrogen through Porous Material: The Importance of Framework Flexibility