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2020
1 Peltzer, Raphael Mathias; Gauss, Jürgen; Eisenstein, Odile; Cascella, Michele.
The Grignard Reaction − Unraveling a Chemical Puzzle. Journal of the American Chemical Society 2020 ;Volum 142. s. 2984-2994
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2019
2 Eisenstein, Odile.
Anisotropy of Solid State NMR Chemical Shift Signal and the Analysis of the Metal Alkyl Bond in d0 Metal Alkyl Complexes. Symposium Joseph Michl@80; 2019-05-24 - 2019-05-24
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3 Eisenstein, Odile.
Art and Chemistry, Chemistry and Art. Meeting of the French and Italian Academies of science; 2019-03-01 - 2019-03-01
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4 Eisenstein, Odile.
Challenging computational chemistry with chemical questions. ACS National Meeting; 2019-08-25 - 2019-08-29
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5 Eisenstein, Odile.
Computations trying to catch up with experiments. SCIENTIFIC DAY Perutz@70; 2019-12-13 - 2019-12-14
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6 Eisenstein, Odile.
Concluding remarks for “Mechanistic Processes in Organometallic Chemistry”: the importance of a multidisciplinary approach. Faraday discussions 2019 ;Volum 220. s. 489-495
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7 Eisenstein, Odile.
Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations. Invitation University of Zurich; 2019-02-26 - 2019-02-26
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8 Eisenstein, Odile.
« Quantum based » Computational chemistry: An interpret for structures and properties during chemical reaction. ON ODD HASSEL SHOULDERS; 2019-11-29 - 2019-11-30
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9 Eisenstein, Odile.
Reactivity in organometallic complexes from Dynamic and solid-state NMR. Mechanistic Homogeneous Catalysis - A Meeting between Theory and Experiment; 2019-09-04 - 2019-09-07
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10 Eisenstein, Odile.
Some insight in the mechanism of the Grignard reaction. INVITATION TECHNION; 2019-12-23
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11 Eisenstein, Odile.
The 13C Solid State NMR Signature of Metal-bonded Carbon: An information of Bonding and Reactivity. EC2/BIG-NSE Workshop 2019; 2019-10-16 - 2019-10-16
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12 Eisenstein, Odile; Raynaud, Christophe; Coperet, Christophe.
Anisotropy of solid state NMR Chemical Shift signal informs on the π character of M-alkyl σ-bond in d0metal alkyl complexes. ACS National Meeting; 2019-03-30 - 2019-04-03
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13 Eisenstein, Odile; Raynaud, Christophe; Coperet, Christophe; Andersen, Richard A; Gordon, Christopher.
To have and have not: the NMR signature of metal-C p bond. International Symposium Olefin Metathesis 23; 2019-06-30 - 2019-07-03
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14 Gordon, Christopher P.; Culver, Damien B; Conley, Matthew P; Eisenstein, Odile; Andersen, Richard A; Copéret, Christophe.
π-Bond Character in Metal–Alkyl Compounds for C–H Activation: How, When, and Why?. Journal of the American Chemical Society 2019 ;Volum 141.(1) s. 648-656
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15 Gordon, Christopher P.; Raynaud, Christophe; Andersen, Richard A; Copéret, Christophe; Eisenstein, Odile.
Carbon-13 NMR Chemical Shift: A Descriptor for Electronic Structure and Reactivity of Organometallic Compounds. Accounts of Chemical Research 2019 ;Volum 52.(8) s. 2278-2289
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2018
16 Artus Suarez, Lluis; Culakova, Zuzana; Balcells, David; Bernskoetter, Wesley H; Eisenstein, Odile; Goldberg, Karen I.; Hazari, Nilay; Tilset, Mats; Nova, Ainara.
The Key Role of the Hemiaminal Intermediate in the Iron-Catalyzed Deaminative Hydrogenation of Amides. ACS Catalysis 2018 ;Volum 8.(9) s. 8751-8762
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17 Eisenstein, Odile.
Analyzing reaction pathway: is there an alternative to energy ?. Buergenstock meeting; 2018-04-29 - 2018-05-03
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18 Eisenstein, Odile.
Analyzing reaction pathway Is there an alternative to energy?. Charles Casey Lectureship; 2018-11-05 - 2018-11-08
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19 Eisenstein, Odile.
Chemistry: the Color of Universe. Science without Borders; 2018-11-26 - 2018-11-26
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20 Eisenstein, Odile.
Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations. Lecture tour USA Rutgers UNiversity; 2018-10-31 - 2018-10-31
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21 Eisenstein, Odile.
Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations. Lecture tour USA; 2018-11-12 - 2018-11-12
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22 Eisenstein, Odile.
Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations. invitation Imperial College LOndon; 2018-09-27 - 2018-09-28
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23 Eisenstein, Odile.
The adventures of a computational chemist among chemists. Charles Casey Lectureship; 2018-11-05 - 2018-11-08
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24 Eisenstein, Odile; Raynaud, Christophe; Coperet, Christophe.
Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations. Frontiers in CHemistry Armenia; 2018-10-21 - 2018-10-25
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25 Gordon, Christopher P.; Yamamoto, Keishi; Searles, Keith; Shirase, Satoru; Andersen, Richard A; Eisenstein, Odile; Copéret, Christophe.
Metal alkyls programmed to generate metal alkylidenes by a-H abstraction: prognosis from NMR chemical shift. Chemical Science 2018 ;Volum 9.(7) s. 1912-1918
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26 Gordon, Christopher; Shirase, Satoru; Yamamoto, Keishi; Andersen, Richard A; Eisenstein, Odile; Copéret, Christophe.
NMR chemical shift analysis decodes olefin oligo- and polymerization activity of d0 group 4 metal complexes. Proceedings of the National Academy of Sciences of the United States of America 2018 ;Volum 115.(26) s. E5867-E5876
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2017
27 Eisenstein, Odile; Milani, Jessica; Perutz, Robin N..
Selectivity of C-H Activation and Competition between C-H and C-F Bond Activation at Fluorocarbons. Chemical Reviews 2017 ;Volum 117.(13) s. 8710-8753
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28 Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike; Bittner, Celine; Zier, Manuel Luca; Bockfeld, Dirk; Chan, Ka Wing; Eisenstein, Odile; Raynaud, Christophe; Tamm, Matthias; Copéret, Christophe.
Molecular and silica-supported molybdenum aqlkyne metathesis catalysts: influence of electronics and dynamics on activity revealed by kinetics, solid-state NMR, and chemical shift analysis. Journal of the American Chemical Society 2017 ;Volum 139.(48) s. 17597-17607
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29 Gordon, Christopher P.; Yamamoto, Keishi; Liao, Wei-Chih; Allouche, Florian; Andersen, Richard A; Copéret, Christophe; Raynaud, Christophe; Eisenstein, Odile.
Metathesis Activity Encoded in the Metallacyclobutane Carbon-13 NMR Chemical Shift Tensors. ACS Central Science 2017 ;Volum 3.(7) s. 759-768
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30 Peltzer, Raphael Mathias; Eisenstein, Odile; Nova, Ainara; Cascella, Michele.
How Solvent Dynamics Controls the Schlenk Equilibrium of Grignard Reagents: A Computational Study of CH3MgCl in Tetrahydrofuran. Journal of Physical Chemistry B 2017 ;Volum 121.(16) s. 4226-4237
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31 Yamamoto, Keishi; Gordon, Christopher P.; Liao, Wei-Chih; Copéret, Christophe; Raynaud, Christophe; Eisenstein, Odile.
Orbital Analysis of Carbon-13 Chemical Shift Tensors Reveals Patterns to Distinguish Fischer and Schrock Carbenes. Angewandte Chemie International Edition 2017 ;Volum 56.(34) s. 10127-10131
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2016
32 Balcells, David; Clot, Eric; Eisenstein, Odile; Nova, Ainara; Perrin, Lionel.
Deciphering Selectivity in Organic Reactions: A Multifaceted Problem. Accounts of Chemical Research 2016 ;Volum 49.(5) s. 1070-1078
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33 Balcells, David; Eisenstein, Odile; Tilset, Mats; Nova, Ainara.
Coordination and insertion of alkenes and alkynes in AuIII complexes: nature of the intermediates from a computational perspective. Dalton Transactions 2016 ;Volum 45.(13) s. 5504-5513
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34 Halbert, Stephanie; Copéret, Christophe; Raynaud, Christophe; Eisenstein, Odile.
Elucidating the Link between NMR Chemical Shifts and Electronic Structure in Olefin Metathesis Catalysts. Journal of the American Chemical Society 2016 ;Volum 138.(7) s. 2261-2272
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2015
35 Mennucci, Benedetta; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin Helen; Helgaker, Trygve; Ruud, Kenneth.
FemEx—Female Excellence in Theoretical and Computational Chemistry. International Journal of Quantum Chemistry 2015
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2014
36 Hennum, Martin; Fliegl, Heike; Gundersen, Lise-Lotte; Eisenstein, Odile.
Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines. 29. Organisk-kjemisk vintermøte; 2014-01-09 - 2014-01-12
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37 Aasheim, Jens Harald; Fliegl, Heike; Uggerud, Einar; Bonge-Hansen, Tore; Eisenstein, Odile.
Stereoselectivity through a network of non-classical CH weak interactions: A prospective study of a bicyclic organocatalytic scaffold. New Journal of Chemistry 2014 ;Volum 38.(12) s. 5975-5982
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38 Hennum, Martin; Fliegl, Heike; Gundersen, Lise-Lotte; Eisenstein, Odile.
Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines. Journal of Organic Chemistry 2014 ;Volum 79.(6) s. 2514-2521
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39 Møllendal, Harald; Balcells, David; Eisenstein, Odile; Suissa, Michal Rachel.
Conformational analysis and theoretical calculations of morphine and morphinum, in the gas phase and in water: A DFT and MP2 study. 49th EUCHEM Conference on Stereochemistry, Bürgenstock, Switzerland, May 2014; 2014-05-04 - 2014-05-09
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40 Møllendal, Harald; Balcells, David; Eisenstein, Odile; Syversen, Linda; Suissa, Michal Rachel.
Conformational Complexity of Morphine and Morphinum in the Gas Phase and in Water. A DFT and MP2 Study. RSC Advances 2014 ;Volum 4.(47) s. 24729-24735
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41 Nova, Ainara; Suh, Hee-Won; Schmeier, Timothy J.; Guard, Louise M.; Eisenstein, Odile; Hazari, Nilay; Maseras, Feliu.
An unusual example of hypervalent silicon: a five-coordinate silyl group bridging two palladium or nickel centers through a nonsymmetrical four-center two-electron bond. Angewandte Chemie International Edition 2014 ;Volum 53.(4) s. 1103-1108
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42 Nova, Ainara; Taylor, David; Blacker, A. John; Duckett, Simon B.; Perutz, Robin N.; Eisenstein, Odile.
Computational studies explain the importance of two different substituents on the chelating bis(amido) ligand for transfer hydrogenation by bifunctional Cp*Rh(III) catalysts. Organometallics 2014 ;Volum 33.(13) s. 3433-3442
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2013
43 Langseth, Eirin; Scheuermann, Margaret Louise; Balcells, David; Kaminsky, Werner; Goldberg, Karen I.; Eisenstein, Odile; Heyn, Richard H; Tilset, Mats.
Cyclometalated Gold(III) Complexes and a Gold(III) Alkene Complex. 18th European Symposium on Organic Chemistry (ESOC 2013); 2013-07-07 - 2013-07-12
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44 Langseth, Eirin; Scheuermann, Margaret Louise; Balcells, David; Kaminsky, Werner; Goldberg, Karen I.; Eisenstein, Odile; Heyn, Richard H; Tilset, Mats.
Generation and Structural Characterization of a Gold(III) Alkene Complex. Angewandte Chemie International Edition 2013 ;Volum 52.(6) s. 1660-1663
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45 Langseth, Eirin; Scheuermann, Margaret Louise; Balcells, David; Kaminsky, Werner; Goldberg, Karen I.; Eisenstein, Odile; Heyn, Richard H; Tilset, Mats.
Generation and structural characterization of a gold(III) alkene complex. Det 28. Organisk Kjemiske Vintermøte; 2013-01-10 - 2013-01-13
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46 Hennum, Martin; Eisenstein, Odile; Fliegl, Heike; Gundersen, Lise-Lotte.
Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines. ESOC-18; 2013-07-07 - 2013-07-12
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47 Langseth, Eirin; Scheuermann, Margaret L.; Balcells, David; Kaminsky, Werner; Goldberg, Karen I.; Eisenstein, Odile; Heyn, Richard H; Tilset, Mats.
Generation and Structural Characterization of a Gold(III) Alkene Complex. Angewandte Chemie International Edition 2013 ;Volum 52. s. 1660-
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