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Titolo Data di pubblicazione Autore(i) File
Quantum mechanical Hartree-Fock self-consistent field study of elastic constants and chemical bonding of MgF2 (sellaite) 1991 M. Catti; A. Pavese; R. Dovesi; C. Roetti; M. Causa
Elastic constants and electronic structure of fluorine (CaF2): an ab initio Hartree-Fock study 1991 M. Catti; A. Pavese; R. Dovesi; V. Saunders
Interatomic potentials for CaCO3 polymorphs (calcite and þaragonite), fitted to elastic and vibrational data 1992 A. Pavese; M. Catti; G.D. Price; R. Jackson
Theoretical equilibrium and growth morphology of anhydrite (CaSO4) crystals 1992 D. Aquilano; M. Rubbo; M. Catti; A. Pavese; P. Ugliengo
Theoretical equilibrium and growth morphology of anhydrite (CaSO4) crystals. 1992 D. AQUILANO; M. RUBBO; M. CATTI; A. PAVESE; P. UGLIENGO
Quantum-mechanical Hartree-Fock study of calcite at variable pressure, and comparison with magnesite 1993 M. Catti; A. Pavese; E. Apra; C. Roetti
Thermodynamic properties of CaCO3 calcite and aragonite: a quasi-harmonic calculation 1993 C. Catti; A. Pavese; G.D. Price
Powder neutron diffraction study of 2M1 muscovite at room pressure and at 2 GPa 1994 M. Catti; G. Ferraris; S. Hull; A. Pavese
Static compression and H disorder in Mg(OH)2 (brucite) to 11 GPa : a powder neutron diffraction study 1995 M. Catti; G. Ferraris; S. Hull; A. Pavese
X-ray single crystal diffraction study of pyrope in the temperature range 30-973 K 1995 A. Pavese; G. Artioli; M. Prencipe
Tungusite: new data, relationship with gyrolite and structural model. 1995 G. FERRARIS; PAVESE; A.; SOBOLEVA S.V.
X-RAY SINGLE-CRYSTAL DIFFRACTION STUDY OF PYROPE IN THE TEMPERATURE-RANGE 30-973 K 1995 PAVESE A.; ARTIOLI G.; M. PRENCIPE
Nature of structural disorder in natural kaolinites : a new model based on computer simulation of powder diffraction data and electrostatic energy calculation 1995 G. Artioli; M. Bellotto; A. Gualtieri; A. Pavese
Tungusite: new data, relationship and structural model 1995 G. Ferraris; A. Pavese; S. Soboleva
Modelling of the thermal dependence of structural and elastic properties in calcite (CaCO3) 1996 A. Pavese; M. Catti; S. Parker; A. Walls
Dispersion relations of acoustic phonons in pyrope garnet: relationship between vibrational properties and elastic constants 1996 G. Artioli; A. Pavese; O. Moze
Mn crystal chemistry in pumpellyite: a resonant-scattering powder diffraction Rietveld study using synchrotron radiation 1996 G. Artioli; A. Pavese; M. Bellotto; S.P. Collins; G. Lucchetti
Nafertisite, a layer titanosilicate member of a polysomatic series including mica 1996 G. Ferraris; G. Ivaldi; A.P. Khomyakov; S. Soboleva; E. Belluso; A. Pavese
Quantum mechanical and classical simulations of Mg-Ca carbonates 1996 M. Catti; A. Pavese
Theoretical structure factors and electron density of magnesite (MgCO3) 1996 M. Catti; A. Pavese
Mostrati risultati da 1 a 20 di 185
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