PAVONE, MICHELE
PAVONE, MICHELE
DIPARTIMENTO DI SCIENZE CHIMICHE
SPECTROSCOPIC PROPERTIES IN LIQUID PHASE: COMBINING MOLECULAR DYNAMICS AND HIGH LEVEL AB INITIO CALCULATIONS
2004 Pavone, Michele; Barone, Vincenzo; Brancato, Giuseppe
AB INITIO CALCULATION OF NMR PARAMETERS FOR ORGANIC AND BIOLOGICAL MOLECULES IN SOLUTION
2003 Barone, Vincenzo; C., Benzi; Crescenzi, Orlando; Pavone, Michele
ACCURATE PREDICTION OF SPECTROSCOPIC PARAMETERS IN CONDENSED PHASE: A DISCRETE/CONTINUUM APPROACH
2003 Barone, Vincenzo; C., Benzi; Crescenzi, Orlando; Pavone, Michele
Ab initio molecular dynamics based on density matrix propagation applied to the study of spectroscopic properties
2004 Pavone, Michele; Barone, Vincenzo; I., Ciofini; L., Joubert; C., Adamo
Effective first-principles modeling of complex physico-chemical processes.
2009 Pavone, Michele; V., Barone
Approcci computazionali integrati per simulazioni di processi molecolari. Sviluppi ed applicazioni per lo studio di sistemi molecolari di interesse biologico
2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Crescenzi, Orlando; Barone, Vincenzo
Spectroscopic properties of molecules in solution: an effective computational approach based on non-periodic boundary conditions
2009 V., Barone; Brancato, Giuseppe; P., Cimino; Crescenzi, Orlando; Pavone, Michele; Rega, Nadia
DFT-D study of the benzene dimer: structural minima, energies and molecular dynamics
2007 Pavone, Michele
Prediction of Molecular Properties for Systems of Biological Interests
2007 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele
Calculation of EPR parameters of nitroxides in solution by an integrated computational approach
2007 P., Cimino; Pavone, Michele; Barone, Vincenzo; S., Carlotto; M., Zerbetto; A., Polimeno
Multi-scale integrated computational approaches: applications in material and life sciences
2006 Pavone, Michele
Embedded configuration interaction theory for metallic systems: from Kondo physics to chemisorption
2007 P., Huang; S., Sharifzadeh; Pavone, Michele; E., Carter
EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach
2007 Barone, Vincenzo; P., Cimino; Pavone, Michele
Magnetic properties of nitroxide spin-probes: reliable account of molecular motions and non specific solvent effects by time dependent and time-independent approaches
2010 Pavone, Michele; Biczysko, MALGORZATA AGNIESZKA; Rega, Nadia; V., Barone
First-principles study of Sr2Fe2-xMoxO6 (SFMO) for solid oxide fuel cell applications
2011 MUNOZ GARCIA, ANA BELEN; Pavone, Michele; E. A., Carter
Approche statique et dynamique de la réactivité: une étude DFT comparative
2004 L., Joubert; Pavone, Michele; Barone, Vincenzo; C., Adamo
Accurate ground and excited state studies for molecular systems of biological interest.
2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Effects of A- and B-site doping on {La,Sr}MnO3 (LSM)-based cathodematerials for solid oxide fuel cells.
2012 Pavone, Michele; MUNOZ GARCIA, ANA BELEN; E. A., Carter
Genenvet
2008 Peretti, Vincenzo; Pavone, LUIGI MICHELE; Pavone, Michele; Barbieri, Vittorio; Avallone, Luigi
First-principles modeling of cathode materials for solid oxide fuel cell applications
2011 Pavone, Michele; A. M., Ritzmann; MUNOZ GARCIA, ANA BELEN; E. A., Carter
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| Effective first-principles modeling of complex physico-chemical processes. | 4.1 Articoli in Atti di convegno | 2009 | Pavone, Michele; V., Barone | |
| Approcci computazionali integrati per simulazioni di processi molecolari. Sviluppi ed applicazioni per lo studio di sistemi molecolari di interesse biologico | 4.1 Articoli in Atti di convegno | 2008 | Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Crescenzi, Orlando; Barone, Vincenzo | |
| Spectroscopic properties of molecules in solution: an effective computational approach based on non-periodic boundary conditions | 4.1 Articoli in Atti di convegno | 2009 | V., Barone; Brancato, Giuseppe; P., Cimino; Crescenzi, Orlando; Pavone, Michele; Rega, Nadia | |
| DFT-D study of the benzene dimer: structural minima, energies and molecular dynamics | 4.1 Articoli in Atti di convegno | 2007 | Pavone, Michele | |
| Prediction of Molecular Properties for Systems of Biological Interests | 4.1 Articoli in Atti di convegno | 2007 | Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele | |
| 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 | |
| Multi-scale integrated computational approaches: applications in material and life sciences | 4.1 Articoli in Atti di convegno | 2006 | Pavone, Michele | |
| 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 | |
| EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach | 2.1 Contributo in volume (Capitolo o Saggio) | 2007 | Barone, Vincenzo; P., Cimino; Pavone, Michele | |
| Magnetic properties of nitroxide spin-probes: reliable account of molecular motions and non specific solvent effects by time dependent and time-independent approaches | 4.1 Articoli in Atti di convegno | 2010 | Pavone, Michele; Biczysko, MALGORZATA AGNIESZKA; Rega, Nadia; V., Barone | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| Genenvet | 5.08 Concorsi di Progettazione | 2008 | Peretti, Vincenzo; Pavone, LUIGI MICHELE; Pavone, Michele; Barbieri, Vittorio; Avallone, Luigi | |
| 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 |