Dupuis M - Search Results

1

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.

2

Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts.

Ho MH, O'Hagan M, Dupuis M, DuBois DL, Bullock RM, Shaw WJ, Raugei S. Ho MH, et al. Among authors: dupuis m. Dalton Trans. 2015 Jun 28;44(24):10969-79. doi: 10.1039/c5dt00782h. Epub 2015 May 22. Dalton Trans. 2015. PMID: 25999141

3

Single-Amino Acid Modifications Reveal Additional Controls on the Proton Pathway of [FeFe]-Hydrogenase.

Cornish AJ, Ginovska B, Thelen A, da Silva JC, Soares TA, Raugei S, Dupuis M, Shaw WJ, Hegg EL. Cornish AJ, et al. Among authors: dupuis m. Biochemistry. 2016 Jun 7;55(22):3165-73. doi: 10.1021/acs.biochem.5b01044. Epub 2016 May 27. Biochemistry. 2016. PMID: 27186945

4

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

5

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

6

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

7

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

8

Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based Electrocatalysts.

Ho MH, Raugei S, Rousseau R, Dupuis M, Bullock RM. Ho MH, et al. Among authors: dupuis m. J Chem Theory Comput. 2013 Aug 13;9(8):3505-14. doi: 10.1021/ct400396s. Epub 2013 Aug 2. J Chem Theory Comput. 2013. PMID: 26584107

9

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

10

Activation of the sulfhydryl group by Mo centers: kinetics of reaction of benzyl radical with a binuclear Mo(micro-SH)Mo complex and with arene and alkane thiols.

Franz JA, Birnbaum JC, Kolwaite DS, Linehan JC, Camaioni DM, Dupuis M. Franz JA, et al. Among authors: dupuis m. J Am Chem Soc. 2004 Jun 2;126(21):6680-91. doi: 10.1021/ja049321r. J Am Chem Soc. 2004. PMID: 15161296

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