Publications in year 2009

• Chemical bonding, electronic and magnetic structure in LaOFeAs; Wojdeł, Jacek; Moreira, Ibério De P.R.; Illas, Francesc; J. Am. Chem. Soc. (2009), 131(3), pp.  906-907.
• First principles calculation of influence of water filled cavities on the electronic structure of Prussian Blue; Jacek C. Wojdeł; J. Mol. Model. (2009), 15(6), pp.  576-572.
• Periodic density functional theory study of spin crossover in the cesium iron hexacyanochromate prussian blue analog; Jacek C. Wojdeł, Ibério de P. R. Moreira and Francesc Illas; J. Chem. Phys. (2009), 130(1), pp.  014702.
• Prediction of half-metallic conductivity in Prussian Blue derivatives; Jacek C. Wojdeł, Ibério de P. R. Moreira, Stefan T. Bromley and Francesc Illas; J. Mater. Chem. (2009), 19, pp.  2032-2036.
• The Effect of Local Environment on Photoluminescence: a TD-DFT study of Silanone Groups on the Surface of Silica Nanostructures ; M. A. Zwijnenburg, A. A. Sokol, C. Sousa, S. T. Bromley; J. Chem. Phys. (2009), 131, pp.  034705.