PAVONE, MICHELE
PAVONE, MICHELE
Dipartimento di Scienze chimiche
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
Embedded configuration interaction theory for metallic systems: from Kondo physics to chemisorption
2007 P., Huang; S., Sharifzadeh; Pavone, Michele; E., Carter
Calculation of EPR parameters in solution by a recent integrated computational approach
2007 P., Cimino; Crescenzi, Orlando; Pavone, Michele
Probing the H-Bond network of nitroxide free radicals in different solvent environment
2005 Pavone, Michele; P., Cimino; A., Sillanpaa; 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
Integrated computational approaches for ground and excited state studies for molecular systems of biological interest
2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
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
Ab initio modeling of complex chemical systems
2010 Pavone, Michele
FIRST-PRINCIPLES MODELING OF PEROVSKITE TYPE TRANSITION METAL OXIDES AS CATHODE MATERIALS FOR SOLID OXIDE FUEL CELL APPLICATIONS
2011 Pavone, Michele; MUNOZ GARCIA, ANA BELEN; E. A., Carter
First-principles study of Sr2Fe2-xMoxO6 (SFMO) for solid oxide fuel cell applications
2011 MUNOZ GARCIA, ANA BELEN; Pavone, Michele; E. A., Carter
First-principles modeling of LaMO3 (M=Cr, Mn) based materials for solid oxide fuel cell applications
2011 Pavone, Michele; E. A., Carter
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
Structure, dynamics and magnetic properties of prototypical nitroxide spin-probes in protic solutions
2006 Pavone, Michele; P., Cimino; Barone, Vincenzo
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
EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach
2007 Barone, Vincenzo; P., Cimino; Pavone, Michele
Multi-scale integrated computational approaches: applications in material and life sciences
2006 Pavone, Michele
DFT-D study of the benzene dimer: structural minima, energies and molecular dynamics
2007 Pavone, Michele
Theoretical modeling of spectroscopic properties of molecules in solution: an effective integrated approach based on localized basis sets and non-periodic boundary conditions
2007 Rega, Nadia; Barone, Vincenzo; Brancato, Giuseppe; P., Cimino; Crescenzi, Orlando; Pavone, Michele
Prediction of Molecular Properties for Systems of Biological Interests
2007 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele
| 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 | |
| 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 | |
| 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 | P., Cimino; 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; P., Cimino; A., Sillanpaa; 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 | |
| Integrated computational approaches for ground and excited state studies for molecular systems of biological interest | 4.1 Articoli in Atti di convegno | 2008 | Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo | |
| 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 | |
| Ab initio modeling of complex chemical systems | 1.1 Articolo in rivista | 2010 | Pavone, Michele | |
| FIRST-PRINCIPLES MODELING OF PEROVSKITE TYPE TRANSITION METAL OXIDES AS CATHODE MATERIALS FOR SOLID OXIDE FUEL CELL APPLICATIONS | 4.2 Abstract in Atti di convegno | 2011 | Pavone, Michele; MUNOZ GARCIA, ANA BELEN; 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| Multi-scale integrated computational approaches: applications in material and life sciences | 4.1 Articoli in Atti di convegno | 2006 | Pavone, Michele | |
| DFT-D study of the benzene dimer: structural minima, energies and molecular dynamics | 4.1 Articoli in Atti di convegno | 2007 | Pavone, Michele | |
| 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; P., Cimino; Crescenzi, Orlando; 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 |