2008
Linati, L.; Lusvardi, G.; Malavasi, G.; Menabue, L., Menziani, M. C.; Mustarelli, P., Pedone, A and Segre U. Medium range order in phospho-silicate bioactive glasses: insights from MAS-NMR spectra, Chemical durability experiments and Molecular Dynamics Simulations. J. Non- Crystalline Solids (2008) 354, 84-89 DOI: 10.1016
Pedone, A.; Malavasi, G.; Menziani, M. C.; Segre, U.; Musso, F.; Corno, M.; Civalleri, B.; Ugliengo, P. FFSiOH: a new Force Fields for Silica Polymorphs and their Hydroxylated Surfaces based on Periodic B3LYP calculations. Chemistry of Materials 20 (7), 2522-2531, 2008
Pedone, A.; Malavasi; G. Cormack, A. N.; Segre, U.; Menziani, M. C. Elastic and dynamical properties of alkali silicate glasses from computer simulation techniques. Theoretical Chemistry Accounts (2008) 120(4-6), 557-564. DOI: 10.1007/s00214-008-0434-7
Lusvardi, G.; Malavasi, G.; Menabue, L.; Menziani, M. C.; Pedone, A.; Segre, U.; Aina, V.; Petardi, A.; Morterra, C.; Boccafoschi, F.; Gatti, S.; Borsetti, M.; Cannas, M. Properties of zinc releasing surfaces for clinical applications. Journal of Biomaterials Applications (2008), 22(6), 505-526. DOI :10.1177/088532820?079731
Andreoli R.; Castellini E.; Malavasi, G.; Pedone, A. Deflocculant effects on surface properties of Kaolinite investigated through malachite green adsorption. Colloids and Surfaces A: Physicochemical and Engineering Aspects (2008), 329(1-2), 31-37. DOI:10.1016/j.colsurfa.2008.06.045
Pedone, A.; Malavasi, G.; Menziani, M. C.; Segre, U.; Cormack, A. N. Role of Magnesium in Soda-Lime Glasses: Insight into Structural, transport and Mechanical Properties through computer simulations. J. Phys. Chem. C (2008), 112(29), 11034-11041. DOI:10.1021/jp8016776
Pedone, A.; Malavasi, G.; Menziani, M. C.; Segre, U.; Cormack, A. N. Molecular Dynamics studies of the stress-Strain Behaviour of Silica Glass under Tensile Load. Chemistry of Materials (2008) 20(13), 4356-4366. DOI:10.1021/cm800413v
Lusvardi, G.; Malavasi, G.; Cordata, M.; Menabue, L.; Menziani, M. C., Pedone, A.; Segre, U. Elucidation of the Structural role of Fluorine Potential Bioactive Glasses by Experimental and Computational Investigation. J. Phys. Chem. B (2008) 112(40), 12730-12739. DOI:10.1021/jp803031z
Corno, M.; Pedone, A.; Dovesi, R. and Ugliengo P. B3LYP Simulation of the Full Vibrational Spectrum of 45S5 Bioactive Silicate Glass compared to v-Silica. Chemistry of Materials (2008), 20(17), 5610-5621. DOI:10.1021/cm801164u
Pedone, A. ; Pavone, M. ; Menziani, M. C. and Barone, V. Accurate First-Principle Prediction of 29Si and 17O NMR Parameters in SiO2 polymorphs: The cases of zeolites Sigma-2 and Ferrierite. Journal of Chemical Theory and Computation. (2008), 4, 2130-2140. DOI:10.1021/ct8003035