Dupuis M - Search Results

1

The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes.

Raugei S, Chen S, Ho MH, Ginovska-Pangovska B, Rousseau RJ, Dupuis M, DuBois DL, Bullock RM. Raugei S, et al. Among authors: dupuis m. Chemistry. 2012 May 21;18(21):6493-506. doi: 10.1002/chem.201103346. Epub 2012 Apr 25. Chemistry. 2012. PMID: 22532421

2

Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane.

Devanathan R, Venkatnathan A, Rousseau R, Dupuis M, Frigato T, Gu W, Helms V. Devanathan R, et al. Among authors: dupuis m. J Phys Chem B. 2010 Nov 4;114(43):13681-90. doi: 10.1021/jp103398b. J Phys Chem B. 2010. PMID: 20860379

3

Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines.

Yang JY, Chen S, Dougherty WG, Kassel WS, Bullock RM, DuBois DL, Raugei S, Rousseau R, Dupuis M, Rakowski DuBois M. Yang JY, et al. Among authors: dupuis m. Chem Commun (Camb). 2010 Dec 7;46(45):8618-20. doi: 10.1039/c0cc03246h. Epub 2010 Oct 11. Chem Commun (Camb). 2010. PMID: 20938535

4

Homogeneous Ni catalysts for H2 oxidation and production: an assessment of theoretical methods, from density functional theory to post Hartree-Fock correlated wave-function theory.

Chen S, Raugei S, Rousseau R, Dupuis M, Bullock RM. Chen S, et al. Among authors: dupuis m. J Phys Chem A. 2010 Dec 9;114(48):12716-24. doi: 10.1021/jp106800n. Epub 2010 Nov 11. J Phys Chem A. 2010. PMID: 21070021

5

Comment on "New insights in the electrocatalytic proton reduction and hydrogen oxidation by bioinspired catalysts: a DFT investigation".

Dupuis M, Chen S, Raugei S, DuBois DL, Bullock RM. Dupuis M, et al. J Phys Chem A. 2011 May 12;115(18):4861-5. doi: 10.1021/jp111479z. Epub 2011 Apr 19. J Phys Chem A. 2011. PMID: 21504191

6

About the barriers to reaction of CCl4 with HFeOH and FeCl2.

Ginovska-Pangovska B, Camaioni DM, Dupuis M. Ginovska-Pangovska B, et al. Among authors: dupuis m. J Phys Chem A. 2011 Aug 11;115(31):8713-20. doi: 10.1021/jp2019928. Epub 2011 Jul 14. J Phys Chem A. 2011. PMID: 21707066

7

Frontiers, opportunities, and challenges in biochemical and chemical catalysis of CO2 fixation.

Appel AM, Bercaw JE, Bocarsly AB, Dobbek H, DuBois DL, Dupuis M, Ferry JG, Fujita E, Hille R, Kenis PJ, Kerfeld CA, Morris RH, Peden CH, Portis AR, Ragsdale SW, Rauchfuss TB, Reek JN, Seefeldt LC, Thauer RK, Waldrop GL. Appel AM, et al. Among authors: dupuis m. Chem Rev. 2013 Aug 14;113(8):6621-58. doi: 10.1021/cr300463y. Epub 2013 Jun 14. Chem Rev. 2013. PMID: 23767781 Free PMC article. Review. No abstract available.

8

Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase.

Ginovska-Pangovska B, Ho MH, Linehan JC, Cheng Y, Dupuis M, Raugei S, Shaw WJ. Ginovska-Pangovska B, et al. Among authors: dupuis m. Biochim Biophys Acta. 2014 Jan;1837(1):131-8. doi: 10.1016/j.bbabio.2013.08.004. Epub 2013 Aug 24. Biochim Biophys Acta. 2014. PMID: 23981729 Free article.

9

Mechanistic insights into hydride transfer for catalytic hydrogenation of CO(2) with cobalt complexes.

Kumar N, Camaioni DM, Dupuis M, Raugei S, Appel AM. Kumar N, et al. Among authors: dupuis m. Dalton Trans. 2014 Aug 21;43(31):11803-6. doi: 10.1039/c4dt01551g. Dalton Trans. 2014. PMID: 24946902

10

Toward molecular catalysts by computer.

Raugei S, DuBois DL, Rousseau R, Chen S, Ho MH, Bullock RM, Dupuis M. Raugei S, et al. Among authors: dupuis m. Acc Chem Res. 2015 Feb 17;48(2):248-55. doi: 10.1021/ar500342g. Epub 2015 Jan 9. Acc Chem Res. 2015. PMID: 25574854

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