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List of works by Stephen A Shevlin

Accuracy of density functional theory in the prediction of carbon dioxide adsorbent materials.

scientific article published in April 2013

Band alignment of rutile and anatase TiO2

article

Bubbles and microporous frameworks of silicon carbide

scientific article published on 27 March 2009

Construction of nano- and microporous frameworks from octahedral bubble clusters.

scientific article

Dehydrogenation mechanisms and thermodynamics of MNH2BH3 (M = Li, Na) metal amidoboranes as predicted from first principles

article

Density functional theory simulations of complex hydride and carbon-based hydrogen storage materials.

scientific article

Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

scientific article

On the problem of cluster structure diversity and the value of data mining

scientific article

Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters.

scientific article published on 27 February 2008

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