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
The adhesion nature of the Ag/MgO(100) interface: an ab initio study
1998 E., Heifets; Y. F., Zhukovskii; E. A., Kotomin; Causa', Mauro
Correlation Correction To the Hartree-fock Total Energy of Solids
1987 Causa', Mauro; R., Dovesi; C., Pisani; R., Colle; A., Fortunelli
Density-functional Lcao Calculations For Solids - Comparison Between Hartree-fock and Kohn-sham Structural-properties
1994 Causa', Mauro; A., Zupan
Calculated Enthalpies of Mixing of Mno/mgo and Nio/mgo
1994 K. D., Heath; W. C., Mackrodt; V. R., Saunders; 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
Abinitio Approach To Molecular-crystals - A Periodic Hartree-fock Study of Crystalline Urea
1990 R., Dovesi; Causa', Mauro; R., Orlando; C., Roetti; V. R., Saunders
Properties of simple metals beyond the local density approximation of density functional theory
2003 Almeida, Lm; Fiolhais, C; Causa', Mauro
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
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
A theoretical study of stability, electronic, and optical properties of GeC and SnC
2000 Pandey, R; Rerat, M; Darrigan, C; 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.
On the mechanism of the interaction between oxygen and close-packed single-crystal aluminum surfaces
2003 Zhukovskii, Yf; Jacobs, Pwm; 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
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
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules
1999 Radice, S; Tortelli, V; Causa', Mauro; Castiglioni, C; Zerbi, G.