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Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00406
Abstract: Abstract In present paper, the electronic structure, chemical bonding, optical, elastic and dynamical properties of MeB2 compounds (Me = Sc, Ti and Zr) have been systematically investigated using the first principles calculations to show the effect of…
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Keywords:
chemical;
chemical bonding;
optical elastic;
structure chemical ... See more keywords
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Published in 2017 at "Oral surgery, oral medicine, oral pathology and oral radiology"
DOI: 10.1016/j.oooo.2017.03.011
Abstract: OBJECTIVE The aim of this study was to understand the mechanism of mineralization and growth of a sialolith by analyzing its micromorphology, crystalline structure, and chemical compositions. STUDY DESIGN A sialolith was removed along with…
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Keywords:
structure chemical;
microscopy;
chemical compositions;
structure ... See more keywords
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Published in 2019 at "Solid State Communications"
DOI: 10.1016/j.ssc.2018.10.013
Abstract: Abstract Pressure has become a powerful tool in obtaining unconventional compounds with fascinating properties. Alkali metal trielides have drawn significant attention, because of their structural characters and broad applications. In this article, we have extensively…
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Keywords:
unusual structure;
behavior potassium;
potassium indium;
structure chemical ... See more keywords
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Published in 2019 at "ACS Catalysis"
DOI: 10.1021/acscatal.9b04016
Abstract: Recent progress in instrumentation has provided the basis for characterizing the surfaces of catalytically active oxide materials by using surface-ligand IR (SLIR) spectroscopy. Reference data have been obtained for molecular ligands, in particular for CO…
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Keywords:
structure chemical;
surface ligand;
oxide nanoparticles;
spectroscopy ... See more keywords
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Published in 2020 at "Phase Transitions"
DOI: 10.1080/01411594.2020.1817452
Abstract: ABSTRACT We present a theoretical study on electronic structure and chemical trends of zinc-blende GaP under compression up to 100 kbar obtained from a pseudopotential approach calculations. The influence of high pressure on the features of…
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Keywords:
structure chemical;
gap;
bonding gap;
chemical bonding ... See more keywords
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Published in 2018 at "Russian Journal of Inorganic Chemistry"
DOI: 10.1134/s0036023618090152
Abstract: Electron microscopic observations showed that the preparation of magnetic semiconductor GaSb〈Mn〉 by melt quenching is accompanied by discrete manganese precipitation on GaSb dislocations, this precipitation generating inclusions sized from a split micrometer to several micrometers.…
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Keywords:
structure chemical;
gasb dislocations;
chemical composition;
manganese doped ... See more keywords