Clot E - Search Results

1

DFT calculations of d0 M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr-C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties.

Poater A, Solans-Monfort X, Clot E, Copéret C, Eisenstein O. Poater A, et al. Among authors: clot e. Dalton Trans. 2006 Jul 7;(25):3077-87. doi: 10.1039/b604481f. Epub 2006 May 30. Dalton Trans. 2006. PMID: 16786066

2

d0 Re-based olefin metathesis catalysts, Re([triple bond]CR)(=CHR)(X)(Y): the key role of X and Y ligands for efficient active sites.

Solans-Monfort X, Clot E, Copéret C, Eisenstein O. Solans-Monfort X, et al. Among authors: clot e. J Am Chem Soc. 2005 Oct 12;127(40):14015-25. doi: 10.1021/ja053528i. J Am Chem Soc. 2005. PMID: 16201824

3

Understanding d(0)-olefin metathesis catalysts: which metal, which ligands?

Poater A, Solans-Monfort X, Clot E, Copéret C, Eisenstein O. Poater A, et al. Among authors: clot e. J Am Chem Soc. 2007 Jul 4;129(26):8207-16. doi: 10.1021/ja070625y. Epub 2007 Jun 9. J Am Chem Soc. 2007. PMID: 17559212

4

Bond energy M-C/H-C correlations: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents.

Clot E, Besora M, Maseras F, Mégret C, Eisenstein O, Oelckers B, Perutz RN. Clot E, et al. Chem Commun (Camb). 2003 Feb 21;(4):490-1. doi: 10.1039/b210036n. Chem Commun (Camb). 2003. PMID: 12638964

5

Structural and dynamic properties of propane coordinated to TpRh(CNR) from a confrontation between theory and experiment.

Clot E, Eisenstein O, Jones WD. Clot E, et al. Proc Natl Acad Sci U S A. 2007 Apr 24;104(17):6939-44. doi: 10.1073/pnas.0609454104. Epub 2007 Apr 5. Proc Natl Acad Sci U S A. 2007. PMID: 17412834 Free PMC article.

6

Computational structure-activity relationships in H2 storage: how placement of N atoms affects release temperatures in organic liquid storage materials.

Clot E, Eisenstein O, Crabtree RH. Clot E, et al. Chem Commun (Camb). 2007 Jun 14;(22):2231-3. doi: 10.1039/b705037b. Epub 2007 May 8. Chem Commun (Camb). 2007. PMID: 17534500

7

Beta-H transfer from the metallacyclobutane: a key step in the deactivation and byproduct formation for the well-defined silica-supported rhenium alkylidene alkene metathesis catalyst.

Leduc AM, Salameh A, Soulivong D, Chabanas M, Basset JM, Copéret C, Solans-Monfort X, Clot E, Eisenstein O, Böhm VP, Röper M. Leduc AM, et al. Among authors: clot e. J Am Chem Soc. 2008 May 14;130(19):6288-97. doi: 10.1021/ja800189a. Epub 2008 Apr 11. J Am Chem Soc. 2008. PMID: 18402448

8

Dynamics of silica-supported catalysts determined by combining solid-state NMR spectroscopy and DFT calculations.

Blanc F, Basset JM, Copéret C, Sinha A, Tonzetich ZJ, Schrock RR, Solans-Monfort X, Clot E, Eisenstein O, Lesage A, Emsley L. Blanc F, et al. Among authors: clot e. J Am Chem Soc. 2008 May 7;130(18):5886-900. doi: 10.1021/ja077749v. Epub 2008 Apr 11. J Am Chem Soc. 2008. PMID: 18402450

9

Importance of palladium-carbon bond energies in direct arylation of polyfluorinated benzenes.

Guihaumé J, Clot E, Eisenstein O, Perutz RN. Guihaumé J, et al. Among authors: clot e. Dalton Trans. 2010 Nov 21;39(43):10510-9. doi: 10.1039/c0dt00296h. Epub 2010 Oct 8. Dalton Trans. 2010. PMID: 20931129

10

Validation of the M-C/H-C bond enthalpy relationship through application of density functional theory.

Clot E, Mégret C, Eisenstein O, Perutz RN. Clot E, et al. J Am Chem Soc. 2006 Jun 28;128(25):8350-7. doi: 10.1021/ja061803a. J Am Chem Soc. 2006. PMID: 16787100

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