Alfonso Pedone
Alfonso Pedone
Associate Professor at the Department of Chemical and Geological Sciences of the University of
Verified email at unimore.it - Homepage
Title
Cited by
Cited by
Year
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
3422006
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
1172010
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
1142007
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
1002009
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
942008
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
932013
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
832008
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
782009
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
772012
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
762008
Environmental effects in computational spectroscopy: Accuracy and interpretation
A Pedone, M Biczysko, V Barone
ChemPhysChem 11 (9), 1812-1832, 2010
712010
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
712010
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
702008
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 (4), 1201, 2012
672012
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
672011
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
662013
Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study
A Pedone, J Bloino, S Monti, G Prampolini, V Barone
Physical Chemistry Chemical Physics 12 (4), 1000-1006, 2010
652010
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
652006
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
612015
Properties of zinc releasing surfaces for clinical applications
G Lusvardi, G Malavasi, L Menabue, MC Menziani, A Pedone, U Segre, ...
Journal of biomaterials applications 22 (6), 505-526, 2008
602008
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Articles 1–20