A new insight on the role of Mg in calcite

International Journal of Quantum Chemistry

Volumn 111, Issue 10, 2011, Pages 2436-2443

  Stashans, Arvids ^a   Chamba, Gaston ^a  

^a UNIVERSIDAD TÉCNICA PARTICULAR DE LOJA   (Ecuador)

Author keywords

CaCO3; electronic properties; Mg dopant; quantum chemical modeling; structure

Indexed keywords

ATOMIC ORBITAL; CACO3; CHEMICAL BONDINGS; CHEMICAL COMPUTERS; ELECTRON DENSITIES; HARTREE-FOCK METHODS; IMPURITY CONCENTRATION; KEY DETERMINANTS; MG DOPANT; MINERAL SCALE FORMATION; OIL AND GAS PRODUCTION; QUANTUM-CHEMICAL MODELING; STRUCTURAL ALTERATIONS; STRUCTURE;

CARBONATE MINERALS; CHEMICAL BONDS; ELECTRONIC PROPERTIES; MAGNESIUM; OXYGEN; QUANTUM CHEMISTRY; SCALE (DEPOSITS); SILICATE MINERALS;

CALCITE;

EID: 79955434121     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22538     Document Type: Article

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