E

E Flikkema

19 records found

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)

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

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

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

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

Fully coordinated silica nanoclusters: building blocks for novel materials

Molecular-dynamics analysis of the diffusion of molecular hydrogen in all-silica sodalite

Dedicated Global Optimization Search for Ground State Silica Nanoclusters: (SiO2)N(N=6-12)
Journal article (2004) - E Flikkema (author), ST Bromley (author)

Searching for low-energy silica nanoclusters: a computational study

Prospects for a synthetic route towards well-defined stoichiometric silica nanoclusters: from siloxane to silica

Searching for ground state SiO2 nanoclusters: a global optimisation approach

Searching for low-energy silica nanoclusters: a computational study

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

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

A new interatomic potential for nanoscale silica
Journal article (2003) - E Flikkema (author), ST Bromley (author)

Hybrid QM/MM modeling of heterogeneous catalytic systems

Hybrid QM/MM modeling of heterogeneous catalytic systems

Influence of rigid side chain attraction of stiffness and conformations of comb copolymer brushes strongly absorbed on a flat surface