Finn forfatter "Eisenstein, Odile"
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Raynaud, Christophe; Norbert-Agaisse, Eliott; James, Brian R.; Eisenstein, Odile (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)The NMR chemical shift has been the most versatile marker of chemical structures, by reflecting global and local electronic structures, and is very sensitive to any change within the chemical species. In this work, Ru(II) ...
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Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)A cationic nickel complex of the bis(8-quinolyl)(3,5-di-tert-butylphenoxy)phosphine (NPN) ligand, [(NPN)NiCl]+, is a precursor to efficient catalysts for the hydrosilation of alkenes with a variety of hydrosilanes under ...
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Eisenstein, Odile (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2022)This rosarium article relates the adventure started 50 years ago of a computational chemist who was interested in molecules; what are they, what are their shape and how do they react. The story describes results, still ...
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Peltzer, Raphael Mathias; Eisenstein, Odile; Nova, Ainara; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)The Schlenk equilibrium is a complex reaction governing the presence of multiple chemical species in solution of Grignard reagents. The full characterization at the molecular level of the transformation of CH3MgCl into ...
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Gordon, Christopher P.; Yamamoto, Keishi; Searles, Keith; Shirase, Satoru; Andersen, Richard A; Eisenstein, Odile; Copéret, Christophe (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)Metal alkylidenes, which are key organometallic intermediates in reactions such as olefination or alkene and alkane metathesis, are typically generated from metal dialkyl compounds [M](CH2R)2 that show distinctively ...
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Gordon, Christopher P.; Yamamoto, Keishi; Liao, Wei-Chih; Allouche, Florian; Andersen, Richard A; Copéret, Christophe; Raynaud, Christophe; Eisenstein, Odile (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)Metallacyclobutanes are an important class of organometallic intermediates, due to their role in olefin metathesis. They can have either planar or puckered rings associated with characteristic chemical and physical properties. ...
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de Giovanetti, Marinella; Eliasson, Sondre Hilmar Hopen; Castro, Abril C; Eisenstein, Odile; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Ab initio molecular dynamics simulations are used to explore tetrahydrofuran (THF) solutions containing pure LiCl and LiCl with CH3MgCl, as model constituents of the turbo Grignard reagent. LiCl aggregates as Li4Cl4, which ...
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Gordon, Christopher; Shirase, Satoru; Yamamoto, Keishi; Andersen, Richard A; Eisenstein, Odile; Copéret, Christophe (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)0metal-alkyl complexes (M = Ti, Zr, and Hf) show specific activity and selectivity in olefin polymerization and oligomerization depending on their ligand set and charge. Here, we show by a combined experimental and ...
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Castro, Abril C; Cascella, Michele; Perutz, Robin N.; Raynaud, Christophe; Eisenstein, Odile (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)The halogen bond (XB) is a highly directional class of noncovalent interactions widely explored by experimental and computational studies. However, the NMR signature of the XB has attracted limited attention. The prediction ...
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Peltzer, Raphael Mathias; Gauss, Jürgen; Eisenstein, Odile; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)More than 100 years since its discovery, the mechanism of the Grignard reaction remains unresolved. Ambiguities arise from the concomitant presence of multiple organomagnesium species and the competing mechanisms involving ...
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Eisenstein, Odile; Ujaque, Gregori (Chapter / Bokkapittel / AcceptedVersion; Peer reviewed, 2020)A good meal cannot be defined in an absolute manner since it depends strongly on where and how it is eaten and how many people participate. A picnic shared by hikers after a challenging climbing is very different from a ...