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
Photochemical pollution modelling in complex terrain
2007 A., Balanzino; Causa', Mauro; E., Ferrero; C., Pertot; G., Pirovano
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
Regular Adsorption of Co Molecules On Lif(001)
1993 Causa', Mauro; R., Dovesi; F., Ricca
Studio teorico di nuovi dipositivi di memoria: effetti intrinseci e dell'ambiente sui componenti molecolari
2008 Pino, Ilaria; Causa', Mauro; Barone, Vincenzo
Theoretical mechanicistic studies on oxydation reactions of some saturated and unsaturated organic molecules
2007 G., Ghigo; A., Maranzana; Causa', Mauro; G., Tonachini
An Ab-initio Hartree-fock Study of Electronic and Structural-properties of Mgh2
1994 I., Baraille; C., Pouchan; Causa', Mauro; C., Pisani
Electronic and geometrical structure of bulk rutile studied with Hartree-Fock and density functional methods
1996 P., Reinhardt; B. A., Hess; Causa', Mauro
Adsorption of CO on TiO2(110) studied by means of a cluster model surrounded by multipoles obtained from slab calculations
1996 P., Reinhardt; Causa', Mauro; C. M., Marian; B. A., Hess
Periodic Pseudopotential Hartree-fock Study of Alpha-quartz Structure Sio2 and Geo2
1990 B., Silvi; P., Darco; 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
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules
1999 Radice, S; Tortelli, V; Causa', Mauro; Castiglioni, C; Zerbi, G.
Comparison between Hartree-Fock and Kohn-Sham electronic and structural properties for hexagonal-close-packed magnesium
1998 I., Baraille; C., Pouchan; Causa', Mauro; F., Marinelli
Understanding Maximum Probability Domains with Simple Models
2012 J. L., Osvaldo; B., Braida; Causa', Mauro; A., Savin
Density-Gradient analysis for Density functional Theory: Application to atoms
1997 A., Zupan; J. P., Perdew; K., Burke; Causa', Mauro
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
CRYSTAL95 User's Manual,
1996 R., Dovesi; Vr, Saunders; C., Roetti; Causa', Mauro; N. M., Harrison; Rorlando, ; E., Apra’
Phenomene Periodiques
2006 Causa', Mauro
Studio teorico di reazioni alla superficie dei solidi: processi chimici che coinvolgono il particolato atmosferico
2006 Causa', Mauro
Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
---|---|---|---|---|
X-ray absorption spectroscopy of titanium oxide by time dependent density functional calculations | 1.1 Articolo in rivista | 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 | 1.1 Articolo in rivista | 2008 | Pino, Ilaria; Sementa, Luca; Causa', Mauro; Barone, Vincenzo | |
Photochemical pollution modelling in complex terrain | 8.02 Comunicazioni a Convegni o Seminari | 2007 | A., Balanzino; Causa', Mauro; E., Ferrero; C., Pertot; G., Pirovano | |
Polar versus centrosymmetric crystal structures in imines of 4-hydroxy-benzohydrazide: a joint experimental and theoretical analysis | 4.3 Poster | 2014 | Centore, Roberto; Fusco, Sandra; Francesca, Cerciello; Causa', Mauro; Capone, Fabio | |
Regular Adsorption of Co Molecules On Lif(001) | 1.1 Articolo in rivista | 1993 | Causa', Mauro; R., Dovesi; F., Ricca | |
Studio teorico di nuovi dipositivi di memoria: effetti intrinseci e dell'ambiente sui componenti molecolari | 4.1 Articoli in Atti di convegno | 2008 | Pino, Ilaria; Causa', Mauro; Barone, Vincenzo | |
Theoretical mechanicistic studies on oxydation reactions of some saturated and unsaturated organic molecules | 1.1 Articolo in rivista | 2007 | G., Ghigo; A., Maranzana; Causa', Mauro; G., Tonachini | |
An Ab-initio Hartree-fock Study of Electronic and Structural-properties of Mgh2 | 1.1 Articolo in rivista | 1994 | I., Baraille; C., Pouchan; Causa', Mauro; C., Pisani | |
Electronic and geometrical structure of bulk rutile studied with Hartree-Fock and density functional methods | 1.1 Articolo in rivista | 1996 | P., Reinhardt; B. A., Hess; Causa', Mauro | |
Adsorption of CO on TiO2(110) studied by means of a cluster model surrounded by multipoles obtained from slab calculations | 1.1 Articolo in rivista | 1996 | P., Reinhardt; Causa', Mauro; C. M., Marian; B. A., Hess | |
Periodic Pseudopotential Hartree-fock Study of Alpha-quartz Structure Sio2 and Geo2 | 1.1 Articolo in rivista | 1990 | B., Silvi; P., Darco; 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 | 1.1 Articolo in rivista | 2004 | Ghigo, G; Maranzana, A; Tonachini, G; ZICOVICH WILSON, Cm; Causa', Mauro | |
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules | 1.1 Articolo in rivista | 1999 | Radice, S; Tortelli, V; Causa', Mauro; Castiglioni, C; Zerbi, G. | |
Comparison between Hartree-Fock and Kohn-Sham electronic and structural properties for hexagonal-close-packed magnesium | 1.1 Articolo in rivista | 1998 | I., Baraille; C., Pouchan; Causa', Mauro; F., Marinelli | |
Understanding Maximum Probability Domains with Simple Models | 2.1 Contributo in volume (Capitolo o Saggio) | 2012 | J. L., Osvaldo; B., Braida; Causa', Mauro; A., Savin | |
Density-Gradient analysis for Density functional Theory: Application to atoms | 1.1 Articolo in rivista | 1997 | A., Zupan; J. P., Perdew; K., Burke; Causa', Mauro | |
Crystal14 | 5.13 Software | 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 | |
CRYSTAL95 User's Manual, | 3.1 Monografia o trattato scientifico | 1996 | R., Dovesi; Vr, Saunders; C., Roetti; Causa', Mauro; N. M., Harrison; Rorlando, ; E., Apra’ | |
Phenomene Periodiques | 8.09 Seminari tenuti presso l'Ateneo | 2006 | Causa', Mauro | |
Studio teorico di reazioni alla superficie dei solidi: processi chimici che coinvolgono il particolato atmosferico | 8.09 Seminari tenuti presso l'Ateneo | 2006 | Causa', Mauro |