Sfoglia per Autore
Equilibrium conformation and surface motion of hydrocarbon molecules physisorbed on graphite
1975-01-01 L. Battezzati; C. Pisani; F. Ricca
Special point schemes for evaluating the expansion coefficients of state densities into orthogonal functions
1982-01-01 C. PISANI; P. UGLIENGO
Trigonometric series expansion of projected densities of states
1983-01-01 P. UGLIENGO; C. PISANI
Comparison of different approaches to the study of local defects in crystals. I. Theoretical considerations and computational schemes
1983-01-01 C. PISANI; R. DOVESI; P. UGLIENGO
Hartree-Fock Perturbed-Cluster Treatment of local defects in Solids. II. The energy dependent coupling matrices.
1994-01-01 C. Pisani; S. Casassa; F. Corà
Atomic-hydrogen interaction with metallic lithium: An ab-initio embedded-cluster study
1994-01-01 S. Casassa; C. Pisani
EMBED96
1996-01-01 C. Pisani; U. Birkenheuer; F. Corà; R. Nada; S. Casassa
Proton-ordered ice structures at zero pressure. A quantum-mechanical investigation
1996-01-01 C. PISANI; S. CASASSA; P. UGLIENGO
Energy estimates for local chemica processes in condensed matter.
1997-01-01 C. Pisani; S. Casassa
Proton-ordered models of ordinary ice for quantum-mechanical studies
1997-01-01 S. CASASSA; P. UGLIENGO; C. PISANI
Ab initio study of HCl and HF interaction with crystalline ice. I. Physical adsorption.
1998-01-01 BUSSOLIN G; CASASSA S; PISANI C; P. UGLIENGO
Ab-iniito study of HCl and HF interaction with crystalline Ice
1998-01-01 G. Bussolin; S. Casassa; C. Pisani; P. Ugliengo
Comment on "First principles determination of the bonding mechanism and adsorption energy for CO/MgO(001)
1999-01-01 F. ILLAS; G. PACCHIONI; A. PELMENSCHIKOV; L.G.M. PETTERSSON; R. DOVESI; C. PISANI; K.M. NEYMAN; N. RSCH
Embedded cluster study of hydrogen interaction with an oxygen vacancy at the MgO surface.
1999-01-01 D\'ERCOLE A.; E. GIAMELLO; PISANI C.; OJAMAE L.
Quantum Mechanical Ab Initio Characterization of a Simple Periodic Model of the Silica Surface.
1999-01-01 B. CIVALLERI; S. CASASSA; E. GARRONE; C. PISANI; P. UGLIENGO
Embedded-cluster ab-initio study of the neutral oxygen vacancy in quartz and cristobalite.
2000-01-01 V. Sulimov; S. Casassa; C. Pisani; J. Garapon; B. Poumellec
CRYSTAL and EMBED, two computational tools for the ab-initio study of the electronic properties of crystals.
2000-01-01 PISANI C; DOVESI R; C. ROETTI; CAUSA M; ORLANDO R; CASASSA S; SAUNDERS VR
The periodic Hartree-Fock method and its implementation in the CRYSTAL code
2000-01-01 R. DOVESI; R. ORLANDO; C. ROETTI; C. PISANI
CRYSTAL and EMBED, two computational tools for the ab-initio study of electronic properties of crystal.
2000-01-01 C. Pisani; R. Dovesi; C. Roetti; M. Causà; R. Orlando; S. Casassa; V.R. Saunders
EMBED01
2001-01-01 C. Pisani; U. Birkenheuer; S. Casassa; F. Corà
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