| A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glasses A Pedone, G Malavasi, MC Menziani, AN Cormack, U Segre The Journal of Physical Chemistry B 110 (24), 11780-11795, 2006 | 538 | 2006 |
| Insight into elastic properties of binary alkali silicate glasses; prediction and interpretation through atomistic simulation techniques A Pedone, G Malavasi, AN Cormack, U Segre, MC Menziani Chemistry of Materials 19 (13), 3144-3154, 2007 | 157 | 2007 |
| New insights into the atomic structure of 45S5 bioglass by means of solid-state NMR spectroscopy and accurate first-principles simulations A Pedone, T Charpentier, G Malavasi, MC Menziani Chemistry of Materials 22 (19), 5644-5652, 2010 | 147 | 2010 |
| Role of solvent on charge transfer in 7-aminocoumarin dyes: new hints from TD-CAM-B3LYP and state specific PCM calculations A Pedone Journal of Chemical Theory and Computation 9 (9), 4087-4096, 2013 | 133 | 2013 |
| Properties calculations of silica-based glasses by atomistic simulations techniques: a review A Pedone The Journal of Physical Chemistry C 113 (49), 20773-20784, 2009 | 132 | 2009 |
| Molecular dynamics studies of stress− strain behavior of silica glass under a tensile load A Pedone, G Malavasi, MC Menziani, U Segre, AN Cormack Chemistry of Materials 20 (13), 4356-4366, 2008 | 129 | 2008 |
| Elucidation of the structural role of fluorine in potentially bioactive glasses by experimental and computational investigation G Lusvardi, G Malavasi, M Cortada, L Menabue, MC Menziani, A Pedone, ... The Journal of Physical Chemistry B 112 (40), 12730-12739, 2008 | 118 | 2008 |
| Evidence of Catalase Mimetic Activity in Ce3+/Ce4+ Doped Bioactive Glasses V Nicolini, E Gambuzzi, G Malavasi, L Menabue, MC Menziani, ... The Journal of Physical Chemistry B 119 (10), 4009-4019, 2015 | 113 | 2015 |
| Role of magnesium in soda-lime glasses: insight into structural, transport, and mechanical properties through computer simulations A Pedone, G Malavasi, MC Menziani, U Segre, AN Cormack The Journal of Physical Chemistry C 112 (29), 11034-11041, 2008 | 105 | 2008 |
| Computational insight into the effect of CaO/MgO substitution on the structural properties of phospho-silicate bioactive glasses A Pedone, G Malavasi, MC Menziani The Journal of Physical Chemistry C 113 (35), 15723-15730, 2009 | 100 | 2009 |
| The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy A Pedone, T Charpentier, MC Menziani Journal of Materials Chemistry 22 (25), 12599-12608, 2012 | 98 | 2012 |
| Computational simulations of solid state NMR spectra: a new era in structure determination of oxide glasses T Charpentier, MC Menziani, A Pedone Rsc Advances 3 (27), 10550-10578, 2013 | 89 | 2013 |
| Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations JK Christie, A Pedone, MC Menziani, A Tilocca The journal of physical chemistry B 115 (9), 2038-2045, 2011 | 84 | 2011 |
| Void size distribution in MD-modelled silica glass structures G Malavasi, MC Menziani, A Pedone, U Segre Journal of Non-Crystalline Solids 352 (3), 285-296, 2006 | 83 | 2006 |
| Competitive binding of proteins to gold nanoparticles disclosed by molecular dynamics simulations F Tavanti, A Pedone, MC Menziani The Journal of Physical Chemistry C 119 (38), 22172-22180, 2015 | 82 | 2015 |
| FFSiOH: a new force field for silica polymorphs and their hydroxylated surfaces based on periodic B3LYP calculations A Pedone, G Malavasi, MC Menziani, U Segre, F Musso, M Corno, ... Chemistry of Materials 20 (7), 2522-2531, 2008 | 82 | 2008 |
| Environmental effects in computational spectroscopy: Accuracy and interpretation A Pedone, M Biczysko, V Barone ChemPhysChem 11 (9), 1812-1832, 2010 | 79 | 2010 |
| Multinuclear NMR of CaSiO 3 glass: simulation from first-principles A Pedone, T Charpentier, MC Menziani Physical Chemistry Chemical Physics 12 (23), 6054-6066, 2010 | 78 | 2010 |
| Quantitative structure− property relationships of potentially bioactive fluoro phospho-silicate glasses G Lusvardi, G Malavasi, F Tarsitano, L Menabue, MC Menziani, A Pedone The Journal of Physical Chemistry B 113 (30), 10331-10338, 2009 | 78 | 2009 |
| Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case M Biczysko, J Bloino, G Brancato, I Cacelli, C Cappelli, A Ferretti, A Lami, ... Theoretical Chemistry Accounts 131, 1-19, 2012 | 74 | 2012 |
Maria cristina MenzianiUniversità di Modena e Reggio EmiliaVerified email at unimore.it
