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Borate-catalysed direct amidation reactions of coordinating substrates

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Supported RuCl3–FeCl3 catalysts for hydrosilylation of fluorinated olefins: Catalysis and kinetic study

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Materials Chemistry and Physics, 2025, 344, 131141
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On the relativistic effects on 19F nuclear magnetic resonance chemical shifts in the presence of iodine atoms

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Journal of Fluorine Chemistry, 2023, 271, 110188
DOI: 10.1016/j.jfluchem.2023.110188

Direct Synthesis of Fluorinated Carbon Materials via a Solid‐State Mechanochemical Reaction Between Graphite and PTFE

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Adv Funct Materials, 2023, 33
DOI: 10.1002/adfm.202306426

A Quest for Effective 19F NMR Spectra Modeling: What Brings a Good Balance Between Accuracy and Computational Cost in Fluorine Chemical Shift Calculations?

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IJMS, 2025, 26, 6930
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An unusual way of augmenting one-electron basis sets: New aug-pecS-n (n = 1, 2) basis sets for H, C, N, and O atoms for NMR shielding constant calculations that require extra diffuse functions

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The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0265111

Structure optimization of epoxy MQ silicone resin for excellent transparency, wear resistance, and anti-smudge coatings

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Reactive and Functional Polymers, 2025, 212, 106242
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QM assisted ML for 19F NMR chemical shift prediction

Patrick Penner and Anna Vulpetti

J Comput Aided Mol Des, 2024, 38
DOI: 10.1007/s10822-023-00542-0

Prediction of 19F NMR chemical shift by machine learning

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Artificial Intelligence Chemistry, 2024, 2, 100043
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