CAUSA', Mauro
CAUSA', Mauro
DIPARTIMENTO DI INGEGNERIA CHIMICA, DEI MATERIALI E DELLA PRODUZIONE INDUSTRIALE
X-ray absorption spectroscopy of titanium oxide by time dependent density functional calculations
2006 Fronzoni, G; Francesco, R; Stener, M; Causa', Mauro
Bottom-up approach to innovative memory devices: I. Intrinsic and environmental effects on the molecular component
2008 Pino, Ilaria; Sementa, Luca; Causa', Mauro; Barone, Vincenzo
Polar versus centrosymmetric crystal structures in imines of 4-hydroxy-benzohydrazide: a joint experimental and theoretical analysis
2014 Centore, Roberto; Fusco, Sandra; Francesca, Cerciello; Causa', Mauro; Capone, Fabio
Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals
1996 Causa', Mauro
The role of ab initio methods in material sciences
2007 Causa', Mauro
Chemical Computational study of clay minerals and their interaction with pollutants
2005 Causa', Mauro
Theoretical study of nonpolar surfaces of aluminum nitride: Zinc blend (110) and wurtzite (10(1)over-bar-0)
1997 R., Pandey; P., Zapol; Causa', Mauro
Regular Adsorption of Co Molecules On Lif(001)
1993 Causa', Mauro; R., Dovesi; F., Ricca
Ionicity In Silica
1991 B., Silvi; P., Darco; Causa', Mauro
Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts
2009 Trani, F.; Causa', Mauro; Lettieri, S.; Setaro, Antonio; Ninno, Domenico; Barone, V.; Maddalena, Pasqualino
The oxidized soot surface: Theoretical study of desorption mechanisms involving oxygenated functionalities and comparison with temperature programed desorption experiments
2006 Barco, G; Maranzana, A; Ghigo, G; Causa', Mauro; Tonachini, G.
Computational studies of the reaction of the hydroxyl radical with hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs
2001 Fontana, G; Causa', Mauro; Gianotti, V; Marchionni, G.
A theoretical study of stability, electronic, and optical properties of GeC and SnC
2000 Pandey, R; Rerat, M; Darrigan, C; Causa', Mauro
On the mechanism of the interaction between oxygen and close-packed single-crystal aluminum surfaces
2003 Zhukovskii, Yf; Jacobs, Pwm; Causa', Mauro
First-principles study of stability, band structure, and optical properties of the ordered Ge0.50Sn0.50 alloy
1999 Pandey, R; Rerat, M; Causa', Mauro
Abinitio Hartree-fock Study of the Mgo(001) Surface
1986 Causa', Mauro; R., Dovesi; C., Pisani; C., Roetti
Quantum-mechanical Hartree-fock Self-consistent-field Study of the Elastic-constants and Chemical Bonding of Mgf2 (sellaite)
1991 M., Catti; A., Pavese; R., Dovesi; C., Roetti; Causa', Mauro
Direct role of surface oxygen vacancies in visible light emission of tin dioxide nanowires
2008 Lettieri, S.; Causa', Mauro; Setaro, Antonio; Trani, Fabio; Barone, Vincenzo; Ninno, Domenico; Maddalena, Pasqualino
The adhesion nature of the Ag/MgO(100) interface: an ab initio study
1998 E., Heifets; Y. F., Zhukovskii; E. A., Kotomin; Causa', Mauro
Time dependent density functional investigation of the near-edge absorption spectra of V2O5
2006 DE FRANCESCO, R; Stener, M; Causa', Mauro; Toffoli, D; Fronzoni, G.