IRIS

PAVONE, MICHELE

PAVONE, MICHELE  

DIPARTIMENTO DI SCIENZE CHIMICHE  

Mostra records
Risultati 1 - 20 di 192 (tempo di esecuzione: 0.042 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
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
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
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
Ab initio modeling of complex chemical systems 1.1 Articolo in rivista 2010 Pavone, Michele
Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials 1.1 Articolo in rivista 2011 Pavone, Michele; A. M., Ritzmann; E. A., Carter
Ab Initio DFT plus U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-delta (x=0, 0.25, 0.50) 1.1 Articolo in rivista 2013 Andrew M., Ritzmann; MUNOZ GARCIA, ANA BELEN; Pavone, Michele; John A., Keith; Emily A., Carter
Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons 1.1 Articolo in rivista 2014 Victor B., Oyeyemi; David B., Krisiloff; John A., Keith; Florian, Libisch; Pavone, Michele; Emily A., Carter
Origin of the Energy Barrier to Chemical Reactions of O(2) on Al(111): Evidence for Charge Transfer, Not Spin Selection 1.1 Articolo in rivista 2012 F., Libisch; C., Huang; P., Liao; Pavone, Michele; E. A., Carter
Structural revision of clusianone and 7-epi-clusianone and anti-HIV activity of polyisoprenylated benzophenones 1.1 Articolo in rivista 2005 A. L., Piccinelli; O., CUESTA RUBIO; M., BARRIOS CHICA; N., Mahmood; Pagano, Bruno; Pavone, Michele; Barone, Vincenzo; L., Rastrelli
Ab initio DFT+U analysis of oxygen transport in LaCoO3: the effect of Co3+ magnetic states 1.1 Articolo in rivista 2014 Andrew M., Ritzmann; Pavone, Michele; MUNOZ GARCIA, ANA BELEN; John A., Keith; Emily A., Carter
Ab initio molecular dynamics based on density matrix propagation applied to the study of spectroscopic properties 4.1 Articoli in Atti di convegno 2004 Pavone, Michele; Barone, Vincenzo; I., Ciofini; L., Joubert; C., Adamo
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