Search Results - "Peluzo, Bárbara M. T. C."
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Extraction of uranyl from spent nuclear fuel wastewater via complexation—a local vibrational mode study
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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Theoretical study on the structure and reactions of uranium fluorides
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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Linear versus Bent Uranium(II) MetallocenesA Local Vibrational Mode Study
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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Conformation and Bonding of Lanthanide(III) Trihalides LnX3 (Ln = La–Lu; X = F, Cl, Br): A Relativistic Local Vibrational Mode Study
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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Conformation and Bonding of Lanthanide(III) Trihalides LnX 3 (Ln = La–Lu; X = F, Cl, Br): A Relativistic Local Vibrational Mode Study
Published in Inorganic chemistry (25-11-2024)Get full text
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