- Role of Hydrogen in Dimerizaton of Aluminium Clusters – A Theoretical Study, A. Varano, D.J. Henry and I. Yarovsky, J. Phys.Chem. C, 115 (2011) 7734-7743
- Structure, Bonding and Reactivity in Aluminium Nanoclusters: Insights from Regional DFT, D. Henry, P. Szareka, K. Hirai, K. Ichikawa, A. Tachibana and I. Yarovsky, J Phys Chem C115 (2011) 1714-1723
- A DFT Study of H Adsorption on Magnesium-Doped Aluminium Clusters, A. Varano, D. J. Henry and I. Yarovsky, J. Phys.Chem. A, 114 (2010) 3602-3608
- First Principles Investigation of H Addition and Abstraction Reactions on Doped Aluminium Clusters, D.J. Henry, A.Varano, I. Yarovsky, J. Phys. Chem. A, 113 (2009) 5832-5837
- Dissociative adsorption of Hydrogen molecule on Aluminium clusters: effect of charge and doping, D. J. Henry and I. Yarovsky, J. Phys. Chem. A, 113 (2009) 2565-2571
- Comparison of EAM potentials for small Al cluster simulations, A. Budi, D. Henry, J. D. Gale and I. Yarovsky, J. Phys.: Condens. Matter 21 (2009) 144206.
- Performance of numerical Basis Set DFT for Aluminium clusters, D. Henry, A. Varano, and I. Yarovsky, J. Phys. Chem. A, 112 (2008) 9835-9844
- Density Functional Theory Study of Hydrogen Adsorption on Al12 cages, A. Goldberg, I. Yarovsky, Phys. Rev. B, 75 (2007) 195403-195413
- DFT study of hydrogen adsorption on Al13 cluster, I. Yarovsky, A. Goldberg, Molecular Simulation, 2005, 31, 475-482.
- Regional DFT - Electronic Stress Tensor Study of Aluminium Nanostructures for Hydrogen Storage, Paweł Szareka, Kosuke Hiraia, Kazuhide Ichikawaa, David Henry, Irene Yarovsky and Akitomo Tachibana, AIP Conf. Proc. 1102, 2009, 299-305.