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Article(3)
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International Journal of Quantum Chemistry(1)
Journal of Computational Chemistry(1)
Physics and Chemistry of Minerals(1)
A new insight on the role of Mg in calcite
ArticleAbstract: Magnesium is a key determinant in calcite (CaCO3) mineralization having a notable significance uponPalabras claves:CaCO 3Autores:A. Stashans, G. ChambaFuentes:rraaeElectronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO3
ArticleAbstract: The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO3 havPalabras claves:CaCO 3Autores:A. Stashans, G. Chamba, H. PintoFuentes:rraaeModelling of Al impurity in perovskite and ilmenite structures of MgSiO3
ArticleAbstract: A methodology based on the Hartree-Fock theory is used to study pure MgSiO3 crystals as well as Al dPalabras claves:Aluminium dopingAutores:A. Stashans, G. Chamba, L. ErasFuentes:rraae