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Riccardo Spezia
Riccardo Spezia
CNRS Research Director, Laboratoire de Chimie Théorique, Sorbonne Universités, Paris
Adresă de e-mail confirmată pe upmc.fr - Pagina de pornire
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Revised ionic radii of lanthanoid (III) ions in aqueous solution
P D’Angelo, A Zitolo, V Migliorati, G Chillemi, M Duvail, P Vitorge, ...
Inorganic chemistry 50 (10), 4572-4579, 2011
2942011
Singlet oxygen from cation driven superoxide disproportionation and consequences for aprotic metal-O 2 batteries
SAF Eléonore Mourad, Yann Petit, Riccardo Spezia, Aleksej Samojlov ...
Energy & Environmental Science 12, 2559-2568, 2019
1532019
Hydration of lanthanoids (III) and actinoids (III): an experimental/theoretical saga
P D'Angelo, R Spezia
Chemistry–A European Journal 18 (36), 11162-11178, 2012
1492012
A first-principles method to model perturbed electronic wavefunctions: the effect of an external homogeneous electric field
M Aschi, R Spezia, A Di Nola, A Amadei
Chemical physics letters 344 (3-4), 374-380, 2001
1392001
Building a polarizable pair interaction potential for lanthanoids (III) in liquid water: A molecular dynamics study of structure and dynamics of the whole series
M Duvail, P Vitorge, R Spezia
The Journal of chemical physics 130 (10), 2009
1172009
A dynamic model to explain hydration behaviour along the lanthanide series
M Duvail, R Spezia, P Vitorge
ChemPhysChem 9 (5), 693-696, 2008
1172008
Hydration properties and ionic radii of actinide (III) ions in aqueous solution
P D’Angelo, F Martelli, R Spezia, A Filipponi, MA Denecke
Inorganic chemistry 52 (18), 10318-10324, 2013
972013
UO22+ Uptake by Proteins: Understanding the Binding Features of the Super Uranyl Binding Protein and Design of a Protein with Higher Affinity
SO Odoh, GD Bondarevsky, J Karpus, Q Cui, C He, R Spezia, L Gagliardi
Journal of the American Chemical Society 136 (50), 17484-17494, 2014
912014
Pair interaction potentials with explicit polarization for molecular dynamics simulations of La3+ in bulk water
M Duvail, M Souaille, R Spezia, T Cartailler, P Vitorge
The Journal of chemical physics 127 (3), 2007
902007
Hydration of lanthanide chloride salts: a quantum chemical and classical molecular dynamics simulation study
C Beuchat, D Hagberg, R Spezia, L Gagliardi
The Journal of Physical Chemistry B 114 (47), 15590-15597, 2010
882010
A Coupled Car-Parrinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co2+
R Spezia, M Duvail, P Vitorge, T Cartailler, J Tortajada, G Chillemi, ...
The Journal of Physical Chemistry A 110 (48), 13081-13088, 2006
702006
Protonated urea collision-induced dissociation. Comparison of experiments and chemical dynamics simulations
R Spezia, JY Salpin, MP Gaigeot, WL Hase, K Song
The Journal of Physical Chemistry A 113 (50), 13853-13862, 2009
682009
Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects
MR Fagiani, H Knorke, TK Esser, N Heine, CT Wolke, S Gewinner, ...
Physical Chemistry Chemical Physics 18 (38), 26743-26754, 2016
642016
Echinenone vibrational properties: from solvents to the orange carotenoid protein
E Kish, MMM Pinto, D Kirilovsky, R Spezia, B Robert
Biochimica et Biophysica Acta (BBA)-Bioenergetics 1847 (10), 1044-1054, 2015
602015
Environmental effects on vibrational properties of carotenoids: experiments and calculations on peridinin
D Bovi, A Mezzetti, R Vuilleumier, MP Gaigeot, B Chazallon, R Spezia, ...
Physical Chemistry Chemical Physics 13 (47), 20954-20964, 2011
582011
Extension of the perturbed matrix method: application to a water molecule
R Spezia, M Aschi, A Di Nola, A Amadei
Chemical physics letters 365 (5-6), 450-456, 2002
562002
The unique photophysical properties of the Peridinin-Chlorophyll-a-Protein
D Carbonera, M Di Valentin, R Spezia, A Mezzetti
Current Protein and Peptide Science 15 (4), 332-350, 2014
542014
Co2+ Binding Cysteine and Selenocysteine:  A DFT Study
R Spezia, G Tournois, T Cartailler, J Tortajada, Y Jeanvoine
The Journal of Physical Chemistry A 110 (31), 9727-9735, 2006
542006
Conical intersections in solution: non-equilibrium versus equilibrium solvation
R Spezia, I Burghardt, JT Hynes
Molecular Physics 104 (5-7), 903-914, 2006
502006
Lanthanoids (III) and actinoids (III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations
F Martelli, S Abadie, JP Simonin, R Vuilleumier, R Spezia
Pure and Applied Chemistry 85 (1), 237-246, 2012
492012
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