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SIMULATION ON THE EDGE
Parker, Steve
(PI)
University of Bath
Project
:
Research council
Status
Finished
Effective start/end date
16/02/05
→
15/02/08
Funding
Engineering and Physical Sciences Research Council
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Research Output
Structural characterization of amorphous alumina and its polymorphs from first-principles XPS and NMR calculations
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Reactivity on the (110) Surface of Ceria: A GGA+U Study of Surface Reduction and the Adsorption of CO and NO2
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Free energy change of aggregation of nanoparticles
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Atomistic modelling of adsorption and segregation at inorganic solid interfaces
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The structure and dynamics of hydrated and hydroxylated magnesium oxide nanoparticles
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Lithium insertion and transport in the TiO2-B anode material: A computational study
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