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Catti, M., Pavese, A., Apr�, E., Roetti, C. (1993) Quantum-mechanical Hartree-Fock study of calcite (CaCO3) at variable pressure, and comparison with magnesite (MgCO3) Physics and Chemistry of Minerals, 20 (2) doi:10.1007/bf00207203

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Reference TypeJournal (article/letter/editorial)
TitleQuantum-mechanical Hartree-Fock study of calcite (CaCO3) at variable pressure, and comparison with magnesite (MgCO3)
JournalPhysics and Chemistry of Minerals
AuthorsCatti, M.Author
Pavese, A.Author
Apr�, E.Author
Roetti, C.Author
Year1993 (July)Volume20
Issue2
PublisherSpringer Science and Business Media LLC
DOIdoi:10.1007/bf00207203Search in ResearchGate
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Mindat Ref. ID152110Long-form Identifiermindat:1:5:152110:2
GUID0
Full ReferenceCatti, M., Pavese, A., Apr�, E., Roetti, C. (1993) Quantum-mechanical Hartree-Fock study of calcite (CaCO3) at variable pressure, and comparison with magnesite (MgCO3) Physics and Chemistry of Minerals, 20 (2) doi:10.1007/bf00207203
Plain TextCatti, M., Pavese, A., Apr�, E., Roetti, C. (1993) Quantum-mechanical Hartree-Fock study of calcite (CaCO3) at variable pressure, and comparison with magnesite (MgCO3) Physics and Chemistry of Minerals, 20 (2) doi:10.1007/bf00207203
In(1993, July) Physics and Chemistry of Minerals Vol. 20 (2) Springer Science and Business Media LLC

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Catti, M., Pavese, A., Dovesi, R., Roetti, C., Causà, M. (1991) Quantum-mechanical Hartree-Fock self-consistent-field study of the elastic constants and chemical bonding ofMgF2(sellaite) Physical Review B, 44 (8) 3509-3517 doi:10.1103/physrevb.44.3509
Catti, M., Pavese, A., Price, G.D. (1993) Thermodynamic properties of CaCO3 calcite and aragonite: A quasi-harmonic calculation. Physics and Chemistry of Minerals, 19 (7) doi:10.1007/bf00203187
Pavese, A., Catti, M., Parker, S.C., Wall, A. (1996) Modelling of the thermal dependence of structural and elastic properties of calcite, CaCO3. Physics and Chemistry of Minerals, 23 (2) doi:10.1007/bf00202303
Pavese, A., Catti, M., Price, G.D., Jackson, R.A. (1992) Interatomic potentials for CaCO3 polymorphs (calcite and aragonite), fitted to elastic and vibrational data. Physics and Chemistry of Minerals, 19 (2) doi:10.1007/bf00198605
Catti, M., Pavese, A., Dovesi, R., Saunders, V. R. (1993) Static lattice and electron properties ofMgCO3(magnesite) calculated byab initioperiodic Hartree-Fock methods. Physical Review B, 47 (15) 9189-9198 doi:10.1103/physrevb.47.9189
Catti, M., Pavese, A. (1996) Theoretical Structure Factors and Electron Density of Magnesite(MgCO3). Acta Crystallographica Section A Foundations of Crystallography, 52 (3). 413-418 doi:10.1107/s0108767395017181
Lasaga, A.C., Gibbs, G.V. (1991) Quantum mechanical hartree-fock potential surfaces and calculations on minerals. Physics and Chemistry of Minerals, 17 (6) doi:10.1007/bf00202228
McSwiggen, Peter L. (1993) Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3. Physics and Chemistry of Minerals, 20 (1) 33-41 doi:10.1007/bf00202248
McSwiggen, Peter L. (1993) Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3. Physics and Chemistry of Minerals, 20 (1) 42-55 doi:10.1007/bf00202249
Catti, M, Pavese, A, Saunders, V R (1991) Elastic constants and electronic structure of fluorite (CaF2): an ab initio Hartree-Fock study. Journal of Physics: Condensed Matter, 3 (23). 4151-4164 doi:10.1088/0953-8984/3/23/004
Silvi, B., Bouaziz, A., D'Arco, Ph. (1993) Pseudopotential periodic Hartree-Fock study of Mg2SiO4 polymorphs: Olivine, modified spinel and spinel. Physics and Chemistry of Minerals, 20 (5) doi:10.1007/bf00215104
 
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