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Ungureanu, Crina Georgeta, Cossio, Roberto, Prencipe, Mauro (2012) An Ab-initio assessment of thermo-elastic properties of CaCO3 polymorphs: Calcite case. Calphad, 37. 25-33 doi:10.1016/j.calphad.2011.12.007

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Reference TypeJournal (article/letter/editorial)
TitleAn Ab-initio assessment of thermo-elastic properties of CaCO3 polymorphs: Calcite case
JournalCalphad
AuthorsUngureanu, Crina GeorgetaAuthor
Cossio, RobertoAuthor
Prencipe, MauroAuthor
Year2012 (June)Volume37
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2011.12.007Search in ResearchGate
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Mindat Ref. ID14974360Long-form Identifiermindat:1:5:14974360:2
GUID0
Full ReferenceUngureanu, Crina Georgeta, Cossio, Roberto, Prencipe, Mauro (2012) An Ab-initio assessment of thermo-elastic properties of CaCO3 polymorphs: Calcite case. Calphad, 37. 25-33 doi:10.1016/j.calphad.2011.12.007
Plain TextUngureanu, Crina Georgeta, Cossio, Roberto, Prencipe, Mauro (2012) An Ab-initio assessment of thermo-elastic properties of CaCO3 polymorphs: Calcite case. Calphad, 37. 25-33 doi:10.1016/j.calphad.2011.12.007
In(2012) Calphad Vol. 37. Elsevier BV

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Ungureanu, Crina, Georgeta Prencipe, Mauro, Cossio, Roberto (2010) Ab initio quantum-mechanical calculation of CaCO3 aragonite at high pressure: thermodynamic properties and comparison with experimental data. European Journal of Mineralogy, 22 (5) 693-701 doi:10.1127/0935-1221/2010/0022-2054
Ottonello, G., Vetuschi Zuccolini, M., Civalleri, B. (2009) Thermo-chemical and thermo-physical properties of stishovite: An ab-initio all-electron investigation. Calphad, 33 (3) 457-468 doi:10.1016/j.calphad.2009.01.003
Zucchini, A., Prencipe, M., Comodi, P., Frondini, F. (2012) Ab initio study of cation disorder in dolomite. Calphad, 38. 177-184 doi:10.1016/j.calphad.2012.07.001
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Bruno, Marco, Massaro, Francesco Roberto, Prencipe, Mauro (2008) Theoretical structure and surface energy of the reconstructed {01.2} form of calcite (CaCO3) crystal. Surface Science, 602 (16). 2774-2782 doi:10.1016/j.susc.2008.07.002
Zhang, Xi, Sluiter, Marcel H.F. (2015) [P4] Ab initio prediction of vacancy properties in concentrated alloys: the case of fcc Cu-Ni. Calphad, 51. 372 doi:10.1016/j.calphad.2015.01.094
Bruno, Marco, Massaro, Francesco Roberto, Prencipe, Mauro, Aquilano, Dino (2010) Surface reconstructions and relaxation effects in a centre-symmetrical crystal: the {00.1} form of calcite (CaCO3). CrystEngComm, 12. 3626pp. doi:10.1039/c002969f
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Belmonte, D., Ottonello, G., Zuccolini, M. Vetuschi (2017) Ab initio-assisted assessment of the CaO-SiO2 system under pressure. Calphad, 59. 12-30 doi:10.1016/j.calphad.2017.07.009
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