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
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.
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.
Periodic density functional theory study of Pt(111): surface features of slabs of different thicknesses
1999 Kokalj, A; Causa', Mauro
Properties of simple metals beyond the local density approximation of density functional theory
2003 Almeida, Lm; Fiolhais, C; Causa', Mauro
Verneuil corundum: an integrated PBC and white beam synchrotron radiation X-ray topography analysis
2002 Rinaudo, C; Orione, P; Causa', Mauro
ALPO-34 and SAPO-34 synthesized by using morpholine as templating agent. FTIR and FT-Raman studies of the host-guest and guest-guest interactions within the zeolitic framework
1999 Marchese, L; Frache, A; Gianotti, E; Martra, G; Causa', Mauro; Coluccia, S.
A theoretical study of stability, electronic, and optical properties of GeC and SnC
2000 Pandey, R; Rerat, M; Darrigan, C; Causa', Mauro
CRYSTAL and EMBED, two computational tools for the ab initio study of electronic properties of crystals
2000 Pisani, C; Dovesi, R; Roetti, C; Causa', Mauro; Orlando, R; Casassa, S; Saunders, Vr
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules
1999 Radice, S; Tortelli, V; Causa', Mauro; Castiglioni, C; Zerbi, G.
Interpretation of scanning probe microscope image of the structure of atomic vacancy on graphite: ab initio periodic Hartree-Fock calculations
2000 Lee, Kh; Causa', Mauro; Park, Ss
First-principles study of stability, band structure, and optical properties of the ordered Ge0.50Sn0.50 alloy
1999 Pandey, R; Rerat, M; Causa', Mauro
On the mechanism of the interaction between oxygen and close-packed single-crystal aluminum surfaces
2003 Zhukovskii, Yf; Jacobs, Pwm; Causa', Mauro
Computational studies of the reaction of the hydroxyl radical with hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs
2001 Fontana, G; Causa', Mauro; Gianotti, V; Marchionni, G.
Periodic DFT study of the Pt(111): A p(1x1) atomic oxygen interaction with the surface
1999 Kokalj, A; Lesar, A; Hodoscek, M; Causa', Mauro
Modeling soot and its functionalization under atmospheric or combustion conditions by density functional theory within molecular (polycyclic-aromatic-hydrocarbon-like) and periodic methodologies
2004 Ghigo, G; Maranzana, A; Tonachini, G; ZICOVICH WILSON, Cm; 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
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
Short π‐Stacking in N‐Rich Ionic Aromatic Compounds
2013 Centore, Roberto; Causa', Mauro; Fusco, Sandra; Carella, Antonio
Crystal14
2013 R., Dovesi; V. R., Saunders; C., Roetti; R., Orlando; C. M., Zicovich Wilson; F., Pascale; B., Civalleri; K., Doll; N. M., Harrison; I. J., Bush; P., D’Arco; M., Llunell; Causa', Mauro; Y., Noël