Encapsulated Neutral Ruthenium Catalyst for Substrate‐Selective Oxidation of Alcohols von Hkiri, Shaima, Steinmetz, Maxime, Schurhammer, Rachel, Sémeril, David

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Hydrogenation Versus Hydrosilylation: The Substantial Impact of a Palladium Capsule on the Catalytic Outcome von Steinmetz, Maxime, Schurhammer, Rachel, Gourlaouen, Christophe, Sémeril, David

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Ab Initio Molecular Dynamics of Liquid 1,3-Dimethylimidazolium Chloride von Bühl, Michael, Chaumont, Alain, Schurhammer, Rachel, Wipff, Georges

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Critical Analysis of Association Constants between Calixarenes and Nitroaromatic Compounds Obtained by Fluorescence. Implications for Explosives Sensing von Miranda, Alexandre S, Marcos, Paula M, Ascenso, José R, Berberan-Santos, Mário N, Cragg, Peter J, Schurhammer, Rachel, Gourlaouen, Christophe

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Implementation of a soft grading system for chemistry in a Moodle plugin von Plyer, Louis, Marcou, Gilles, Perves, Céline, Schurhammer, Rachel, Varnek, Alexandre

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Dihomooxacalix[4]arene-Based Fluorescent Receptors for Anion and Organic Ion Pair Recognition von Miranda, Alexandre S, Marcos, Paula M, Ascenso, José R, Berberan-Santos, Mário N, Schurhammer, Rachel, Hickey, Neal, Geremia, Silvano

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Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces von Yuan, Minghui, Tanabe, Iori, Bernard-Schaaf, Jean-Marie, Shi, Qin-Yin, Schlegel, Vicki, Schurhammer, Rachel, Dowben, Peter A, Doudin, Bernard, Routaboul, Lucie, Braunstein, Pierre

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Formation of Aqueous Biphasic Systems with an Ionic Liquid Induced by Metallic Salts: Nanoscopic Views from Molecular Dynamics Simulations von Schurhammer, Rachel, Wipff, Georges

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Liquid–Liquid Extraction of the Eu(III) Cation by BTP Ligands into Ionic Liquids: Interfacial Features and Extraction Mechanisms Investigated by MD Simulations von Mangin, Thomas, Schurhammer, Rachel, Wipff, Georges

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Is Charge Scaling Really Mandatory when Developing Fixed-Charge Atomistic Force Fields for Deep Eutectic Solvents? von Chaumont, A, Engler, E, Schurhammer, R

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Encapsulated Neutral Ruthenium Catalyst for Substrate‐Selective Oxidation of Alcohols von Hkiri, Shaima, Steinmetz, Maxime, Schurhammer, Rachel, Sémeril, David

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Photophysical and Structural Impact of Phosphorylated Anions Associated to Lanthanide Complexes in Water von Charbonnière, Loïc J, Schurhammer, Rachel, Mameri, Samir, Wipff, Georges, Ziessel, Raymond F

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Hydronium Ion Complex of 18-Crown-6:  Theory Confirms Three “Normal” Linear Hydrogen Bonds von Bühl, Michael, Ludwig, Ralf, Schurhammer, Rachel, Wipff, Georges

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Are the Hydrophobic AsPh4 + and BPh4 - Ions Equally Solvated? A Theoretical Investigation in Aqueous and Nonaqueous Solutions Using Different Charge Distributions von Schurhammer, Rachel, Wipff, Georges

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Enzymatic Degradation of Graphene Quantum Dots by Human Peroxidases von Martín, Cristina, Jun, Gong, Schurhammer, Rachel, Reina, Giacomo, Chen, Peng, Bianco, Alberto, Ménard‐Moyon, Cécilia

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Liquid−Liquid Extraction of Pertechnetic Acid (TcVII) by Tri-n-butyl Phosphate: Where Is the Proton? A Molecular Dynamics Investigation von Schurhammer, Rachel, Wipff, Georges

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Complexation of Cs+, K+ and Na+ by norbadione A triggered by the release of a strong hydrogen bond: nature and stability of the complexes von KUAD, Paul, SCHURHAMMER, Rachel, MAECHLING, Clarisse, ANTHEAUME, Cyril, MIOSKOWSKI, Charles, WIPFT, Georges, SPIESS, Bernard

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Solvation of Uranium Hexachloro Complexes in Room-Temperature Ionic Liquids. A Molecular Dynamics Investigation in Two Liquids von Schurhammer, Rachel, Wipff, Georges

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Cold‐spray ionization mass spectrometry of the choline chloride‐urea deep eutectic solvent (reline) von Percevault, Lucie, Delhaye, Thomas, Chaumont, Alain, Schurhammer, Rachel, Paquin, Ludovic, Rondeau, David

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Hydrophobic Ions in TIP5P Water and at a Water−Chloroform Interface:  The Effect of Sign Inversion Investigated by MD and FEP Simulations von Schurhammer, Rachel, Engler, Etienne, Wipff, Georges

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