Prediction of new stable crystal structures for ternary ErAgTe2
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Frequency dependent (a) absorption coefficient, (b) optical
Crystal and electronic structures of the new ternary gallide Zr12Pd40−xGa31+y (x = 0–1.5, y = 0–0.5) - ScienceDirect
colour online) The crystal structure view of TiAsTe.
Predicting Band Gaps with Hybrid Density Functionals
Structure prediction drives materials discovery
colour online) The directional (3-D) dependence of the (a)
Combinatorial study of thermal stability in ternary nanocrystalline alloys - ScienceDirect
Analysis of the new ternary phase with C6Cr23 structure in Mg-Co-B system by Rietveld method and physical properties of its Ni-substituting effect - ScienceDirect
Electronic band structure for (a) In 2 Ge 2 Te 6 , (b) InGeTe 3 , (c)
Crystal structure prediction – Tuckerman Research Group
Crystal structure prediction at finite temperatures
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