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    <ns1:title language="sr">Energetski pejzaži i predviđanje struktura naprednih i bio-inspirisanih materijala, ispitivanje materijala na bazi biogenih jedinjenja kalciuma</ns1:title>
    <ns2:alt_title language="sr">Energy landscapes and structure predictions of advanced and bio-inspired materials, investigation of materials based on bio-genic calcium compounds : doctoral dissertation</ns2:alt_title>
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    <ns1:description language="sr">In order to develop new advanced materials, different known (Si-B) and unknown (Cr-Si-N) systems were investigated. Various quantum-chemical methods were used to find new possible meta(stable) structures in the given systems, and all potential structural candidates were then locally optimized at the ab initio level. The local optimization is based on density functional theory (DFT) and was performed with different functionals to compare the results.Bio-inspired materials obtained from biologically readily available, cheap and renewable materials with a high content of calcium compounds were also investigated. After appropriate chemical and thermal preparation and activation, these materials can represent a cost-effective and sustainable source of calcium oxide, which can be successfully used as a catalyst in the production of alternative fuels.</ns1:description>
    <ns1:description language="sr">Bibliografija: str. 237-244.Biografija: list 236.  Datum odbrane: 09.05.2025. Applied and Iidustrial chemistry</ns1:description>
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        <ns3:firstname> Tamara, 1988-</ns3:firstname>
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        <ns3:firstname> Aleksandra, 1975-</ns3:firstname>
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        <ns3:firstname> Маrjan S., 1982-</ns3:firstname>
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        <ns3:firstname> Vladimir, 1969-</ns3:firstname>
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        <ns3:firstname> Dejan, 1979-</ns3:firstname>
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    <ns7:keyword language="sr" seq="1">energetski pejzaži, predviđanje struktura, napredni i bio-inspirisani matrijali, biogena jedinjenja kalcijuma</ns7:keyword>
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