Factors of 18O/16O fractionation in corundum estimated from the calculation of isotopic shifts on vibration frequencies
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DOI: 10.1134/s0016702917060064
Abstract: The β-factors of corundum were estimated on the basis of DFT calculations of vibrational frequency changes due to 16O–18O isotope substitution in a harmonic approximation using an all-electron Gaussian-type basis set and the B3LYP hybrid… read more here.
Keywords: 18o 16o; factors 18o; estimated calculation; 16o fractionation ... See more keywords