Browsing by Subject "QUANTUM MECHANICAL CALCULATIONS"
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Browsing by Subject "QUANTUM MECHANICAL CALCULATIONS"
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(2001)The relative stabilities of orthozoisite, Ca2Al3[O|OH|Si2O7|SiO4], space group Pnma, and the monoclinic polymorph, clinozoisite, space group P21/m, have been investigated using calculations based on density functional ...
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