Search Results - "Peluzo, Bárbara M. T. C."

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  1. 1

    Extraction of uranyl from spent nuclear fuel wastewater via complexation—a local vibrational mode study by Peluzo, Bárbara M. T. C., Moura Jr, Renaldo T., Kraka, Elfi

    Published in Journal of molecular modeling (01-07-2024)
    “…Context The efficient extraction of uranyl from spent nuclear fuel wastewater for subsequent reprocessing and reuse is an essential effort toward minimization…”
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    Journal Article
  2. 2

    Theoretical study on the structure and reactions of uranium fluorides by Peluzo, Bárbara M. T. C., Galvão, Breno R. L.

    Published in Journal of molecular modeling (01-08-2018)
    “…The gas-phase mechanisms of UF 4 and UF 5 conversion into UF 6 at different electronic states have been investigated using density functional theory (DFT)…”
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    Journal Article
  3. 3

    Linear versus Bent Uranium(II) MetallocenesA Local Vibrational Mode Study by Peluzo, Bárbara M. T. C., Makoś, Małgorzata Z., Moura, Renaldo T., Freindorf, Marek, Kraka, Elfi

    Published in Inorganic chemistry (07-08-2023)
    “…Uranium metallocenes have recently attracted attention driven by their use as catalysts in organometallic synthesis. In addition to bent U­(IV) and U­(III), an…”
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    Journal Article
  4. 4

    Conformation and Bonding of Lanthanide(III) Trihalides LnX3 (Ln = La–Lu; X = F, Cl, Br): A Relativistic Local Vibrational Mode Study by Peluzo, Barbara M. T. C., Moura, Renaldo T., Kraka, Elfi

    Published in Inorganic chemistry (25-11-2024)
    “…This study employed relativistic methods to investigate the connection between the conformation and bonding properties of 45 lanthanide trihalides LnX3 (Ln:…”
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    Journal Article
  5. 5