Sfoglia per Autore
Quantum mechanical Hartree-Fock self-consistent field study of elastic constants and chemical bonding of MgF2 (sellaite)
1991-01-01 M. Catti; A. Pavese; R. Dovesi; C. Roetti; M. Causa
Elastic constants and electronic structure of fluorine (CaF2): an ab initio Hartree-Fock study
1991-01-01 M. Catti; A. Pavese; R. Dovesi; V. Saunders
Interatomic potentials for CaCO3 polymorphs (calcite and þaragonite), fitted to elastic and vibrational data
1992-01-01 A. Pavese; M. Catti; G.D. Price; R. Jackson
Theoretical equilibrium and growth morphology of anhydrite (CaSO4) crystals
1992-01-01 D. Aquilano; M. Rubbo; M. Catti; A. Pavese; P. Ugliengo
Theoretical equilibrium and growth morphology of anhydrite (CaSO4) crystals.
1992-01-01 D. AQUILANO; M. RUBBO; M. CATTI; A. PAVESE; P. UGLIENGO
Quantum-mechanical Hartree-Fock study of calcite at variable pressure, and comparison with magnesite
1993-01-01 M. Catti; A. Pavese; E. Apra; C. Roetti
Thermodynamic properties of CaCO3 calcite and aragonite: a quasi-harmonic calculation
1993-01-01 C. Catti; A. Pavese; G.D. Price
Powder neutron diffraction study of 2M1 muscovite at room pressure and at 2 GPa
1994-01-01 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
1995-01-01 M. Catti; G. Ferraris; S. Hull; A. Pavese
X-ray single crystal diffraction study of pyrope in the temperature range 30-973 K
1995-01-01 A. Pavese; G. Artioli; M. Prencipe
Tungusite: new data, relationship with gyrolite and structural model.
1995-01-01 G. FERRARIS; PAVESE; A.; SOBOLEVA S.V.
X-RAY SINGLE-CRYSTAL DIFFRACTION STUDY OF PYROPE IN THE TEMPERATURE-RANGE 30-973 K
1995-01-01 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
1995-01-01 G. Artioli; M. Bellotto; A. Gualtieri; A. Pavese
Tungusite: new data, relationship and structural model
1995-01-01 G. Ferraris; A. Pavese; S. Soboleva
Modelling of the thermal dependence of structural and elastic properties in calcite (CaCO3)
1996-01-01 A. Pavese; M. Catti; S. Parker; A. Walls
Dispersion relations of acoustic phonons in pyrope garnet: relationship between vibrational properties and elastic constants
1996-01-01 G. Artioli; A. Pavese; O. Moze
Mn crystal chemistry in pumpellyite: a resonant-scattering powder diffraction Rietveld study using synchrotron radiation
1996-01-01 G. Artioli; A. Pavese; M. Bellotto; S.P. Collins; G. Lucchetti
Nafertisite, a layer titanosilicate member of a polysomatic series including mica
1996-01-01 G. Ferraris; G. Ivaldi; A.P. Khomyakov; S. Soboleva; E. Belluso; A. Pavese
Quantum mechanical and classical simulations of Mg-Ca carbonates
1996-01-01 M. Catti; A. Pavese
Theoretical structure factors and electron density of magnesite (MgCO3)
1996-01-01 M. Catti; A. Pavese
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