ORLANDO, Roberto

ORLANDO, Roberto  

CHIMICA  

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Risultati 1 - 20 di 149 (tempo di esecuzione: 0.03 secondi).
Titolo Data di pubblicazione Autore(i) File
A periodic ab initio extended basis set study of α-Al2O3 1991 L. Salasco; R. Dovesi; R. Orlando; M. Causà; V.R. Saunders
A QUANTUM MECHANICAL INVESTIGATION OF THE ELECTRONIC AND MAGNETIC PROPERTIES OF CaMnO3 PEROVSKITE 1997 F. Freyria Fava; Ph. D'Arco; R.Orlando; R.Dovesi
A quantum mechanical periodic ab initio approach to Materials Science: the CRYSTAL program 1999 ORLANDO R; DOVESI R; P. UGLIENGO; ROETTI C; SAUNDERS V. R
A QUANTUM MECHANICAL STUDY OF THE PEROVSKITE STRUCTURE TYPE OF MgSiO3 1993 Ph. D'Arco; G. Sandrone; R. Dovesi; R. Orlando; V. R. Saunders
A solution to the observed Z = 2 preference in the crystal structures of hydrophobic amino acids. 2009 C. H. Görbitz; K. Vestli; R. Orlando
A super-cell approach for the study of localized defects in solids: carbon substitution in bulk silicon 1994 R. Orlando; R. Dovesi; P. Azavant; N.M. Harrison; V.R. Saunders
Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method 2012 Lorenzo Maschio; Bernard Kirtman; Roberto Orlando; Michel Rèrat
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory 2013 Lorenzo Maschio;Bernard Kirtman;Michel Rérat;Roberto Orlando;Roberto Dovesi
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments 2013 Lorenzo Maschio;Bernard Kirtman;Michel Rérat;Roberto Orlando;Roberto Dovesi
Ab initio approach to molecular crystals: a periodic Hartree-Fock study of crystalline urea 1990 R. Dovesi; M. Causà; R. Orlando; C. Roetti; V.R. Saunders
Ab initio calculation of the crystalline structure and IR spectrum of polymers: Nylon 6 polymorphs 2012 C. Quarti; A. Milani; B. Civalleri; R. Orlando; C. Castiglioni
Ab initio calculation of the structure factors and Compton profiles of cubic silicon carbide 1998 D. Ayma; M. Rérat; R. Orlando; A. Lichanot
Ab Initio Calculation of the Ultraviolet-Visible (UV-vis) Absorption Spectrum, Electron-Loss Function, and Reflectivity of Solids 2015 Ferrari, Anna Maria; Orlando, Roberto; Rérat, Michel
Ab initio Embedded-Cluster Models of Local Defects in Crystals 1992 C. Pisani; R. Orlando; R. Nada
Ab initio Hartree-Fock calculations of periodic compounds: application to semiconductors 1990 R. Orlando; R. Dovesi; C. Roetti; V.R. Saunders
Ab initio Hartree-Fock perturbed-cluster treatment of local defects in crystals: application to carbon impurities in silicon 1991 C. Pisani; R. Orlando; R. Nada
AB INITIO HARTREE-FOCK STUDY OF TETRAGONAL AND CUBIC PHASES OF ZIRCONIUM DIOXIDE 1992 R. Orlando; C. Pisani; C. Roetti; E. Stefanovich
Ab initio Hartree-Fock study of tetragonal and cubic phases of zirconium dioxide 1992 R. Orlando; C. Pisani; C. Roetti; E. Stefanovich
AB INITIO MODELING OF TRITITANATE NANOTUBES 2011 DÉNES SZIEBERTH; ANNA MARIA FERRARI; PHILIPPE D'ARCO; ROBERTO ORLANDO
Ab Initio Periodic Simulation of the Spectroscopic and Optical Properties of Novel Porous Graphene Phases 2013 Marco De La Pierre; Panaghiotis Karamanis; Jacopo Baima; Roberto Orlando; Claude Pouchan; Roberto Dovesi