IRIS

PAVONE, MICHELE

PAVONE, MICHELE  

DIPARTIMENTO DI SCIENZE CHIMICHE  

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Risultati 1 - 20 di 192 (tempo di esecuzione: 0.033 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
Approche statique et dynamique de la réactivité: une étude DFT comparative 4.1 Articoli in Atti di convegno 2004 L., Joubert; Pavone, Michele; Barone, Vincenzo; C., Adamo
First-principles modeling of cathode materials for solid oxide fuel cell applications 4.2 Abstract in Atti di convegno 2011 Pavone, Michele; A. M., Ritzmann; MUNOZ GARCIA, ANA BELEN; E. A., Carter
Ab initio reaction pathways for dissociative adsorption of dioxygen on Al (111) 4.2 Abstract in Atti di convegno 2012 F., Libisch; C., Huang; P., Liao; Pavone, Michele; E., Carter
Calculation of EPR parameters of nitroxides in solution by an integrated computational approach 4.1 Articoli in Atti di convegno 2007 P., Cimino; Pavone, Michele; Barone, Vincenzo; S., Carlotto; M., Zerbetto; A., Polimeno
First-principles modeling of LaMO3 (M=Cr, Mn) based materials for solid oxide fuel cell applications 4.2 Abstract in Atti di convegno 2011 Pavone, Michele; E. A., Carter
Structure, dynamics and magnetic properties of prototypical nitroxide spin-probes in protic solutions 4.1 Articoli in Atti di convegno 2006 Pavone, Michele; P., Cimino; Barone, Vincenzo
Structural Revision of Clusianone (I) and 7-epi-Clusianone (II) and anti-HIV Activity of Polyisoprenylated Benzophenones. 1.5 Abstract in rivista 2005 Anna Lisa, Piccinelli; Osmany Cuesta, Rubio; Mariano Barrios, Chica; Naheed, Mahmood; Pagano, Bruno; Pavone, Michele; Vincenzo, Barone; Luca, Rastrelli
Unified quantum mechanics embedding theory for materials and molecules. 4.2 Abstract in Atti di convegno 2012 C., Huang; Pavone, Michele; E. A., Carter
First-principles study of Sr2Fe2-xMoxO6 (SFMO) for solid oxide fuel cell applications 4.2 Abstract in Atti di convegno 2011 MUNOZ GARCIA, ANA BELEN; Pavone, Michele; E. A., Carter
Genenvet 5.08 Concorsi di Progettazione 2008 Peretti, Vincenzo; Pavone, LUIGI MICHELE; Pavone, Michele; Barbieri, Vittorio; Avallone, Luigi
First-Principles Study of Lanthanum Strontium Manganite: Insights into Electronic Structure and Oxygen Vacancy Formation 1.1 Articolo in rivista 2014 Pavone, Michele; MUNOZ GARCIA, ANA BELEN; Andrew M., Ritzmann; Emily A., Carter
Iron phtalocyanine self-assembly on Ag(110): a combined STM/DFT study 4.1 Articoli in Atti di convegno 2009 D., Forrer; F., Sedona; M., Di Marino; M., Sambi; A., Vittadini; M., Casarin; E., Tondello; Pavone, Michele; V., Barone
SPECTROSCOPIC PROPERTIES IN LIQUID PHASE: COMBINING MOLECULAR DYNAMICS AND HIGH LEVEL AB INITIO CALCULATIONS 4.1 Articoli in Atti di convegno 2004 Pavone, Michele; Barone, Vincenzo; Brancato, Giuseppe
Theoretical modeling of spectroscopic properties of molecules in solution: an effective integrated approach based on localized basis sets and non-periodic boundary conditions 4.1 Articoli in Atti di convegno 2007 Rega, Nadia; Barone, Vincenzo; Brancato, Giuseppe; Cimino, P.; Crescenzi, Orlando; Pavone, Michele
Probing the H-Bond network of nitroxide free radicals in different solvent environment 4.1 Articoli in Atti di convegno 2005 Pavone, Michele; Cimino, P.; Sillanpaa, A.; Barone, Vincenzo
Embedded configuration interaction theory for metallic systems: from Kondo physics to chemisorption 4.1 Articoli in Atti di convegno 2007 P., Huang; S., Sharifzadeh; Pavone, Michele; E., Carter
Calculation of EPR parameters in solution by a recent integrated computational approach 4.1 Articoli in Atti di convegno 2007 Cimino, P.; Crescenzi, Orlando; Pavone, Michele
ACCURATE PREDICTION OF SPECTROSCOPIC PARAMETERS IN CONDENSED PHASE: A DISCRETE/CONTINUUM APPROACH 4.1 Articoli in Atti di convegno 2003 Barone, Vincenzo; C., Benzi; Crescenzi, Orlando; Pavone, Michele
Oxide ion transport in Sr2Fe1.5Mo0.5O6-delta, a mixed ion-electron conductor: new insights from first principles modeling 1.1 Articolo in rivista 2013 MUNOZ GARCIA, ANA BELEN; Pavone, Michele; Andrew M., Ritzmann; Emily A., Carter
Theoretical Insights on the Chemical Reactivity of MetalloPorphyrins Using Density Functional Theory 2.1 Contributo in volume (Capitolo o Saggio) 2006 I., Ciofini; L., Joubert; Pavone, Michele; Barone, Vincenzo; C., Adamo