Browsing by Author "Ucun, F; Atalay, Y; Ilbasmis, T;"

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Ab initio calculation of the molecular structure and vibration frequencies of carbonate ions coordinated to calcium ions in the zeolite CaA by Hartree-Fock methods

Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2005)

The molecular structures and vibration frequencies of unidentate and bidentate coordinations of carbonate ions to calcium ions in the zeolite CaA have been investigated, using the Hartree-Fock method implementing 6-31 G ...