E

E Flikkema

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19 records found

Hybrid QM/MM modeling of heterogeneous catalytic systems

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

Fully coordinated silica nanoclusters: building blocks for novel materials
Conference paper - ST Bromley, E Flikkema, MA Zwijnenburg

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

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

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

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

A new interatomic potential for nanoscale silica
Journal article - E Flikkema, ST Bromley

New materials from fully coordinated SiO2 nanoclusters
Journal article - ST Bromley, E Flikkema

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

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

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

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

Searching for low-energy silica nanoclusters: a computational study
Abstract - E Flikkema, ST Bromley

Influence of rigid side chain attraction of stiffness and conformations of comb copolymer brushes strongly absorbed on a flat surface
Journal article - E Flikkema, G. ten Brinke

Searching for ground state SiO2 nanoclusters: a global optimisation approach

Searching for low-energy silica nanoclusters: a computational study

Hybrid QM/MM modeling of heterogeneous catalytic systems

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