IRIS

PAVONE, MICHELE

PAVONE, MICHELE  

DIPARTIMENTO DI SCIENZE CHIMICHE  

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Titolo Tipologia Data di pubblicazione Autore(i) File
AB INITIO CALCULATION OF NMR PARAMETERS FOR ORGANIC AND BIOLOGICAL MOLECULES IN SOLUTION 4.1 Articoli in Atti di convegno 2003 Barone, Vincenzo; C., Benzi; Crescenzi, Orlando; Pavone, Michele
Genenvet 5.08 Concorsi di Progettazione 2008 Peretti, Vincenzo; Pavone, LUIGI MICHELE; Pavone, Michele; Barbieri, Vittorio; Avallone, Luigi
Effects of A- and B-site doping on {La,Sr}MnO3 (LSM)-based cathodematerials for solid oxide fuel cells. 4.2 Abstract in Atti di convegno 2012 Pavone, Michele; MUNOZ GARCIA, ANA BELEN; E. A., Carter
Multiscale molecular modeling techniques for complex chemical systems 4.1 Articoli in Atti di convegno 2009 V., Barone; Pavone, Michele
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 Martino; M., Sambi; A., Vittadini; M., Casarin; E., Tondello; Pavone, Michele; V., Barone
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
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
First-principles study of Sr(2)Fe(2-x)Mo(x)O(6-d) (SFMO) for solid oxide fuel cell applications 4.2 Abstract in Atti di convegno 2012 MUNOZ GARCIA, ANA BELEN; Pavone, Michele; E. A., Carter
Toward an effective modelling of weakly bound molecular complexes: modified DFT-D scheme for stacking/dispersion and hydrogen bond interactions 4.1 Articoli in Atti di convegno 2008 Pavone, Michele; Biczysko, MALGORZATA AGNIESZKA; Barone, Vincenzo
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
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
Effective first-principles modeling of complex physico-chemical processes. 4.1 Articoli in Atti di convegno 2009 Pavone, Michele; V., Barone
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
Multiscale modeling of biopolymers: numerical atomistic simulations 4.1 Articoli in Atti di convegno 2008 Pavone, Michele; S., De Lillo; Barone, Vincenzo
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
Accurate ground and excited state studies for molecular systems of biological interest. 4.1 Articoli in Atti di convegno 2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
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
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
Effect of antisite defects on the formation of oxygen vacancies in Sr(2)FeMoO(6): implications for ion and electron transport 1.1 Articolo in rivista 2011 MUNOZ GARCIA, ANA BELEN; Pavone, Michele; E. A., Carter
Unveiling structure-property relationships in Sr2Fe(1.5)Mo(0.5)O(6-delta), an electrode material for symmetric solid oxide fuel cells. 1.1 Articolo in rivista 2012 MUNOZ GARCIA, ANA BELEN; D. E., Bugaris; Pavone, Michele; J. P., Hodges; A., Huq; F., Chen; H. C., zur Loye; E. A., Carter