Browsing by Subject "QUANTUM CALCULATION"
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Browsing by Subject "QUANTUM CALCULATION"
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(2004)17O NMR shieldings are calculated for the central O in the molecular model OM6(OH)12-2, for crystalline alkaline earth oxides, MO, where M=Mg, Ca, and Sr, using both Hartree-Fock and hybrid Hartree-Fock density-functional ...
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