CAUSA', Mauro
CAUSA', Mauro
DIPARTIMENTO DI INGEGNERIA CHIMICA, DEI MATERIALI E DELLA PRODUZIONE INDUSTRIALE
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
X-ray absorption spectroscopy of titanium oxide by time dependent density functional calculations
2006 Fronzoni, G; Francesco, R; Stener, M; Causa', Mauro
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
Phenomene Periodiques
2006 Causa', Mauro
Modellizzazione su scala regionale della dinamica e della chimica del particolato atmosferico
2005 Causa', Mauro
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
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules
1999 Radice, S; Tortelli, V; Causa', Mauro; Castiglioni, C; Zerbi, G.
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
Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals
1996 Causa', Mauro
CRYSTAL95 User's Manual,
1996 R., Dovesi; Vr, Saunders; C., Roetti; Causa', Mauro; N. M., Harrison; Rorlando, ; E., Apra’
Vibrational spectra and quantum chemical calculations of some polyfluoroethers
1998 S., Radice; Causa', Mauro; G., Marchionni
Quantum-mechanical Calculation of the Solid-state Equilibrium Mgo+alpha-al2o3-reversible-arrow-mgal2o4 (spinel) Versus Pressure
1994 M., Catti; G., Valerio; R., Dovesi; Causa', Mauro
Abinitio Hartree-fock Study of the Mgo(001) Surface
1986 Causa', Mauro; R., Dovesi; C., Pisani; C., Roetti
Density-functional Lcao Calculation of Periodic-systems - A-posteriori Correction of the Hartree-fock Energy of Covalent and Ionic-crystals
1994 Causa', Mauro; A., Zupan
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
Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes
2013 A., Maranzana; A., Giordana; A., Indarto; G., Tonachini; V., Barone; Causa', Mauro; Pavone, Michele