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Mostrati risultati da 1 a 20 di 91
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Hartree-Fock Perturbed-Cluster Treatment of local defects in Solids. II. The energy dependent coupling matrices. 1994 C. Pisani; S. Casassa; F. Corà
Atomic-hydrogen interaction with metallic lithium: An ab-initio embedded-cluster study 1994 S. Casassa; C. Pisani
EMBED96 1996 C. Pisani; U. Birkenheuer; F. Corà; R. Nada; S. Casassa
Proton-ordered ice structures at zero pressure. A quantum-mechanical investigation 1996 C. PISANI; S. CASASSA; P. UGLIENGO
Energy estimates for local chemica processes in condensed matter. 1997 C. Pisani; S. Casassa
Proton-ordered models of ordinary ice for quantum-mechanical studies 1997 S. CASASSA; P. UGLIENGO; C. PISANI
Ab-iniito study of HCl and HF interaction with crystalline Ice 1998 G. Bussolin; S. Casassa; C. Pisani; P. Ugliengo
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption. 1998 BUSSOLIN G; CASASSA S; PISANI C; P. UGLIENGO
Quantum Mechanical Ab Initio Characterization of a Simple Periodic Model of the Silica Surface. 1999 B. CIVALLERI; S. CASASSA; E. GARRONE; C. PISANI; P. UGLIENGO
CRYSTAL and EMBED, two computational tools for the ab-initio study of electronic properties of crystal. 2000 C. Pisani; R. Dovesi; C. Roetti; M. Causà; R. Orlando; S. Casassa; V.R. Saunders
CRYSTAL and EMBED, two computational tools for the ab-initio study of the electronic properties of crystals. 2000 PISANI C; DOVESI R; C. ROETTI; CAUSA M; ORLANDO R; CASASSA S; SAUNDERS VR
Ab-initio study of periodic Ice surfaces containing HCl. 2000 S. Casassa
Embedded-cluster ab-initio study of the neutral oxygen vacancy in quartz and cristobalite. 2000 V. Sulimov; S. Casassa; C. Pisani; J. Garapon; B. Poumellec
EMBED01 2001 C. Pisani; U. Birkenheuer; S. Casassa; F. Corà
Structural magnetic and electronic properties of NiO monolayer epitaxially grown on the (001) Ag surface: an ab initio density functional study 2002 S. Casassa; Anna Maria Ferrari; M. Busso; C. Pisani
Interaction of HOCl with a chlorinated ice surface to produce molecular chlorine: an ab initio study 2002 S. Casassa; C. Pisani
Ab initio simulation of oxygen vacancy bistability in pure and Ge-doped alpha-quartz. 2002 M. Busso; S. Casassa; C. Pisani; V. Sulimov
Oxide/metal interface distance epitaxial strain in the NiO/Ag(001) system 2003 C. LAMBERTI; E. GROPPO; C. PRESTIPINO; S. CASASSA; A. M. FERRARI; C. PISANI; C. GIOVANARDI; P. LUCHES; S. VALERI; F. BOSCHERINI
Quasi-periodic ab-initio models in material science: the case of oxygen deficient centres in optical fibers 2004 C. Pisani; M. Busso; F. Lopez-Gejo; S. Casassa; L. Maschio
Computational aspects of a local-MP2 treatment of electron correlation in periodic systems: SiC vs BeS 2005 C. Pisani; G. Capecchi; S. Casassa; L. Maschio
Mostrati risultati da 1 a 20 di 91
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