Rousseau RJ - 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: rousseau rj. 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. 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. 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. 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

A rare terminal dinitrogen complex of chromium.

Mock MT, Chen S, Rousseau R, O'Hagan MJ, Dougherty WG, Kassel WS, DuBois DL, Bullock RM. Mock MT, et al. Chem Commun (Camb). 2011 Nov 28;47(44):12212-4. doi: 10.1039/c1cc15430c. Epub 2011 Oct 12. Chem Commun (Camb). 2011. PMID: 21993453

6

Protonation of ferrous dinitrogen complexes containing a diphosphine ligand with a pendent amine.

Heiden ZM, Chen S, Mock MT, Dougherty WG, Kassel WS, Rousseau R, Bullock RM. Heiden ZM, et al. Inorg Chem. 2013 Apr 1;52(7):4026-39. doi: 10.1021/ic4000704. Epub 2013 Mar 18. Inorg Chem. 2013. PMID: 23506204

7

Dinitrogen reduction by a chromium(0) complex supported by a 16-membered phosphorus macrocycle.

Mock MT, Chen S, O'Hagan M, Rousseau R, Dougherty WG, Kassel WS, Bullock RM. Mock MT, et al. J Am Chem Soc. 2013 Aug 7;135(31):11493-6. doi: 10.1021/ja405668u. Epub 2013 Jul 24. J Am Chem Soc. 2013. PMID: 23865433

8

Toward molecular catalysts by computer.

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

9

Protonation studies of a mono-dinitrogen complex of chromium supported by a 12-membered phosphorus macrocycle containing pendant amines.

Mock MT, Pierpont AW, Egbert JD, O'Hagan M, Chen S, Bullock RM, Dougherty WG, Kassel WS, Rousseau R. Mock MT, et al. Inorg Chem. 2015 May 18;54(10):4827-39. doi: 10.1021/acs.inorgchem.5b00351. Epub 2015 May 1. Inorg Chem. 2015. PMID: 25933172

10

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. 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

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