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
CRYSTAL98 User's Manual,
1999 Vr, Saunders; R., Dovesi; C., Roetti; Causa', Mauro; N. M., Harrison; R., Orlando; Cmzicovich, Wilson
Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals
1996 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
Calculated Enthalpies of Mixing of Mno/mgo and Nio/mgo
1994 K. D., Heath; W. C., Mackrodt; V. R., Saunders; Causa', Mauro
Maximum Probability Domains in Crystals: The Rock-Salt Structure
2011 Causa', Mauro; A., Savin
Vibrational spectra and quantum chemical calculations of some polyfluoroethers
1998 S., Radice; Causa', Mauro; G., Marchionni
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
Regular Adsorption of Co Molecules On Lif(001)
1993 Causa', Mauro; R., Dovesi; F., Ricca
Complexes of Diethylenetriaminepentaacetic Acid As Contrast Agents In Nmr Imaging - Computer-simulation of Equilibria In Human Blood-plasma
1990 M. C., Gennaro; S., Aime; E., Santucci; Causa', Mauro; C., Destefano
Madelung Field and Electron Correlation In Physisorption
1993 Causa', Mauro; F., Ricca
On the Structural-properties of Nacl - An Abinitio Study of the B1-b2 Phase-transition
1993 E., Apra; Causa', Mauro; M., Prencipe; R., Dovesi; V. R., Saunders
A quantum mechanical study of TiCl3 alpha, beta and gamma crystal phases: geometry, electronic structure and magnetism
2009 L., Sementa; M., D'Amore; V., Barone; Busico, Vincenzo; Causa', Mauro
Structure and ESR features of a radiation-induced radical in alpha-glycine crystals
2008 V., Barone; Causa', Mauro
The role of ab initio methods in material sciences
2007 Causa', Mauro
Quantum mechanical calculations and spectroscopic analysis of fluorinated vinyl ether molecules
1999 Radice, S; Tortelli, V; Causa', Mauro; Castiglioni, C; Zerbi, G.
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
Density functional study of oxygen vacancies at the SnO2 surface and subsurface sites
2008 F., Trani; Causa', Mauro; Ninno, Domenico; G., Cantele; Barone, Vincenzo