PEDONE, Alfonso

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Pubblicazioni

Risultati 1 - 20 di 128 (tempo di esecuzione: 0.001 secondi).

	Titolo	Data di pubblicazione	Autore(i)
1	A computational multiscale strategy of the study of amorphous materials	2007	Malavasi, Gianluca; Menziani, Maria Cristina; Pedone, Alfonso; Civalleri, B; Corno, M; Ugliengo, P.
2	A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glasses	2006	PEDONE, Alfonso; MALAVASI, Gianluca; MENZIANI, Maria Cristina; AN, Cormack; SEGRE, Ulderico
3	A Theoretical Multi-level Approach for the Study of Optical Properties of Organic Dyes in Solution.	2010	V., Barone; J., Bloino; S., Monti; PEDONE, Alfonso; G., Prampolini
4	Absorption and Emission Spectra of Fluorescent Silica Nanoparticles from TD-DFT/MM/PCM calculations	2011	Pedone, Alfonso; G., Prampolini; S., Monti; V., Barone
5	Absorption and Emission UV-Vis Spectra of the TRITC Fluorophore molecule in solution: a quantum mechanical study.	2010	Pedone, Alfonso; J., Bloino; S., Monti; G., Prampolini; V., Barone
6	Accurate First-Principle Prediction of 29Si and 17O NMR Parameters in SiO2 Polymorphs: The Cases of Zeolites Sigma-2 and Ferrierite	2008	Pedone, Alfonso; Pavone, M; Menziani, Maria Cristina; Barone, V.
7	Adsorption of Trans-Zeatin on Laser-Ablated Gold Nanoparticles for Transport into Plant Cells and Growth Stimulation	2019	Zoppi, A.; Caporali, S.; Muniz-Miranda, F.; Pedone, A.; Muniz-Miranda, M.
8	An ab initio parameterized interatomic force field for hydroxyapatite	2007	Pedone, Alfonso; M., Corno; B., Civalleri; Malavasi, Gianluca; Menziani, Maria Cristina; Segre, Ulderico; P., Ugliengo
9	An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of nitroxide radicals in solution.	2010	V., Barone; P., Cimino; PEDONE, Alfonso
10	The antioxidant properties of Ce-containing bioactive glass nanoparticles explained by Molecular Dynamics simulations	2016	Pedone, Alfonso; MUNIZ MIRANDA, Francesco; Menziani, Maria Cristina; Tilocca, Antonio
11	Assessment of Density Functional Approximations for Highly Correlated Oxides: The Case of CeO2 and Ce2O3	2018	Brugnoli, Luca; Ferrari, Anna Maria; Civalleri, Bartolomeo; Pedone, Alfonso; Menziani, Maria Cristina
12	Assessment of Exchange-Correlation Functionals in Reproducing the Structure and Optical Gap of Organic-Protected Gold Nanoclusters	2014	Francesco Muniz, Miranda; Menziani, Maria Cristina; Pedone, Alfonso
13	Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations	2019	Fortino, Mariagrazia; Berselli, Alessandro; Stone‐weiss, Nicholas; Deng, Lu; Goel, Ashutosh; Du, Jincheng; Pedone, Alfonso
14	Assessment of the basis set effect on the structural and electronic properties of organic-protected gold nanoclusters	2016	MUNIZ MIRANDA, Francesco; Menziani, Maria Cristina; Pedone, Alfonso
15	An atomic-level look at the structure-property relationship of cerium-doped glasses using classical molecular dynamics	2018	Pedone, Alfonso; Tavanti, Francesco; Malavasi, Gianluca; Menziani, Maria Cristina
16	B3LYP Simulation of the Full Vibrational Spectrum of 45S5 Bioactive Silicate Glass compared to v-Silica	2008	M., Corno; Pedone, Alfonso; R., Dovesi; P., Ugliengo
17	Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases	2015	Muniz Miranda, Francesco; Pedone, Alfonso; Battistelli, Giulia; Montalti, Marco; Bloino, Julien; Barone, Vincenzo
18	Bioglasses: glasses for medical applications	2013	Lusvardi, Gigliola; Malavasi, Gianluca; Menabue, Ledi; Menziani, Maria Cristina; Pedone, Alfonso
19	Calcium environment in silicate and aluminosilicate glasses probed by (43)Ca MQMAS NMR experiments and MD-GIPAW calculations	2015	Gambuzzi, Elisa; Pedone, Alfonso; Menziani, Maria Cristina; Angeli, Frédéric; Florian, Pierre; Charpentier, Thibault
20	CATALYTIC BIOACTIVE GLASSES: CATALASE MIMETIC ACTIVITY, AN EXAMPLE	2016	Malavasi, Gianluca; Nicolini, Valentina; Gambuzzi, Elisa; Menabue, Ledi; Lusvardi, Gigliola; Pedone, Alfonso; Benedetti, Francesco; Luches, Paola; D'Addato, Sergio; Valeri, Sergio

Dettaglio

Nome completo

PEDONE, Alfonso

Afferenza

Dipartimento di Scienze Chimiche e Geologiche