2011
Barone, V.; Bloino, J.; Monti, S.; Pedone, A.; Prampolini, G. Fluorescence Spectra of Organic Dyes in Solution: A Time Dependent Multilevel Approach. Phys. Chem. Chem. Phys., 2011, 13, 2160-2166. DOI: 10.1039/c0cp01320j
Christie, J. K.; Pedone, A.; Menziani, M. C.; Tilocca, A. The fluorine environment in bioactive glasses: ab initio molecular dynamics simulations. Journal of Physical Chemistry B, 2011, 115, 2038-2045, DOI:10.1021/jp110788h
Ori, G.; Montorsi, M.; Pedone, A.; Siligardi, C. Insight into the Structure if Vanadium containing Glasses: a Molecular Dynamics Study. Journal of Non-Crystalline Solids, 2011 357, 2571–2579 DOI:10.1016/j.jnoncrysol.2011.02.002.
Pedone, A.; Prampolini, G.; Monti, S.; Barone, V. Absorption and Emission Spectra of Fluorescent Silica Nanoparticles from TD-DFT/MM/PCM calculations. Phys. Chem. Chem. Phys. 2011, 13, 16689–16697 DOI:10.1039/C1CP21475F
Pedone, A.; Prampolini, G.; Monti, S.; Barone, V. Realistic Modelling of fluorescent Dye-Doped silica nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties. Chemistry of Materials 2011, 23, 5013-5020
F. Muniz-Miranda, M. Pagliai, G. Cardini, Vincenzo Schettino, Wavelet Transform for Spectroscopic Analysis: Application to Diols in Water, J.Chem.TheoryComput., 2011, 7 (4), pp 1109-1118
Pedone A.; Crescenzi, O. Magnetic Resonance Spectroscopy: Singlet and Doublet Electronic States. in ‘New Strategies for Computational Spectroscopy: from small molecules to Nano Systems’ Edited by Vincenzo Barone, Wiley & sons. New York (2011), ISBN: 978-0-470-47017-6 (Book's Chapter)
Corno, M; Chiatti, F.; Pedone, A.; Ugliengo, P. In Silico Study of Hydroxyapatite and Bioglass®: How Computational Science Sheds Light on Biomaterials, Biomaterials - Physics and Chemistry, Rosario Pignatello(Ed.), ISBN: 978-953-307-418-4, (2011). InTech, Available from: http://www.intechopen.com/articles/show/title/in-silico-study-of-hydroxyapatite-and-bioglass-how-computational-science-sheds-light-on-biomaterials (Book's Chapter)