DE FRANCESCO, RENATO
DE FRANCESCO, RENATO
Dipartimento di Scienze Chimiche e Farmaceutiche
Personale esterno ed autonomi
C K-edge NEXAFS spectra of model systems for C2H4 on Si(100): a DFT simulation
2011-01-01 Romeo, Michele; DE FRANCESCO, Renato; Stener, Mauro; Balducci, Gabriele; Fronzoni, Giovanna
Computational investigation of the L2,3-edge spectra of bulk and (110) surface of rutile TiO2
2011-01-01 DE FRANCESCO, Renato; Stener, Mauro; Fronzoni, Giovanna
Core excitations in MgO: a DFT study with cluster models
2005-01-01 Stener, Mauro; Fronzoni, Giovanna; DE FRANCESCO, Renato
Density functional theory simulation of NEXAFS spectra of molecules adsorbed on surfaces: C2H4 on Si(100) case study
2012-01-01 Fronzoni, Giovanna; Balducci, Gabriele; DE FRANCESCO, Renato; Romeo, Michele; Stener, Mauro
DFT simulation of NEXAFS spectra of molecules adsorbed on surfaces: C2H4 on Si(100) case study
2012-01-01 Fronzoni, Giovanna; Balducci, Gabriele; Stener, Mauro; DE FRANCESCO, Renato; Romeo, Michele
L2,3 edge photoabsorption spectra of bulk V2O5: A two components relativistic time dependent density functional theory description with finite cluster model
2012-01-01 Fronzoni, Giovanna; DE FRANCESCO, Renato; Stener, Mauro
Optical excitations of gold nanoparticles: a quantum chemical scalar relativistic Time Dependent Density Functional study
2007-01-01 Stener, Mauro; Nardelli, Alessia; DE FRANCESCO, Renato; Fronzoni, Giovanna
S K-edge NEXAFS Spectra of Model Systems for SO2 on TiO2(110) : a TDDFT Simulation
2009-01-01 DE FRANCESCO, Renato; Stener, Mauro; Fronzoni, Giovanna
Spin-Orbit Relativistic calculations of the core excitation spectra of SO2
2007-01-01 Fronzoni, Giovanna; DE FRANCESCO, Renato; Stener, Mauro; Decleva, Pietro
TDDFT calculations of NEXAFS spectra of model systems for SO2 adsorbed on the MgO (100) surface
2007-01-01 Fronzoni, Giovanna; DE FRANCESCO, Renato; Stener, Mauro
Theoretical study of near edge x-ray absorption fine structure spectra of metal phtalocyanines at C and N Kedges
2011-01-01 DE FRANCESCO, Renato; Fronzoni, Giovanna; Stener, Mauro
Theoretical Study of Near Edge X-Ray Absorption Fine Structure Spectra of Metal Phthalocyanines at C And N K-Edges
2012-01-01 DE FRANCESCO, Renato; Stener, Mauro; Fronzoni, Giovanna
Time Dependent Density Functional investigation of the near-edge absorption spectra of V2O5
2006-01-01 DE FRANCESCO, Renato; Stener, Mauro; M., Causà; Toffoli, Daniele; Fronzoni, Giovanna
Time Dependent Density Functional Theory of X-Ray absorption spectroscopy of alkaline-earth oxides
2005-01-01 Fronzoni, Giovanna; DE FRANCESCO, Renato; Stener, Mauro
X-Ray absorption spectroscopy of titanium oxide by Time Dependent Density Functional calculations
2006-01-01 Fronzoni, Giovanna; DE FRANCESCO, Renato; Stener, Mauro; Causa', M.