Pacific Northwest National Laboratory

Research Output

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Review article
2019

Thermodynamic hydricity of [FeFe]-hydrogenases

Wiedner, E. S., Apr 19 2019, In : Journal of the American Chemical Society. 141, 18, p. 7212-7222 11 p.

Research output: Contribution to journalReview article

3 Citations (Scopus)
2018

A new era for electron bifurcation

Peters, J. W., Beratan, D. N., Bothner, B., Dyer, R. B., Harwood, C. S., Heiden, Z. M., Hille, R., Jones, A. K., King, P. W., Lu, Y., Lubner, C. E., Minteer, S. D., Mulder, D. W., Raugei, S., Schut, G. J., Seefeldt, L. C., Tokmina-Lukaszewska, M., Zadvornyy, O. A., Zhang, P. & Adams, M. WW., Dec 2018, In : Current Opinion in Chemical Biology. 47, p. 32-38 7 p.

Research output: Contribution to journalReview article

8 Citations (Scopus)

Beyond fossil fuel–driven nitrogen transformations

Chen, J. G., Crooks, R. M., Seefeldt, L. C., Bren, K. L., Morris Bullock, R., Darensbourg, M. Y., Holland, P. L., Hoffman, B., Janik, M. J., Jones, A. K., Kanatzidis, M. G., King, P., Lancaster, K. M., Lymar, S. V., Pfromm, P., Schneider, W. F. & Schrock, R. R., May 25 2018, In : Science. 360, 6391, eaar6611.

Research output: Contribution to journalReview article

188 Citations (Scopus)

Control of electron transfer in nitrogenase

Seefeldt, L. C., Peters, J. W., Beratan, D. N., Bothner, B., Minteer, S. D., Raugei, S. & Hoffman, B. M., Dec 2018, In : Current Opinion in Chemical Biology. 47, p. 54-59 6 p.

Research output: Contribution to journalReview article

9 Citations (Scopus)

Designing electrochemically reversible H 2 oxidation and production catalysts

Dutta, A., Appel, A. & Shaw, W. J., Sep 1 2018, In : Nature Reviews Chemistry. 2, 9, p. 244-252 9 p.

Research output: Contribution to journalReview article

21 Citations (Scopus)
6 Citations (Scopus)
2017
9 Citations (Scopus)

Surface Immobilization of Molecular Electrocatalysts for Energy Conversion

Bullock, R. M., Das, A. K. & Appel, A. M., Jan 1 2017, In : Chemistry - A European Journal. 23, 32, p. 7626-7641 16 p.

Research output: Contribution to journalReview article

65 Citations (Scopus)

Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook

Heldebrant, D. J., Koech, P. K., Glezakou, V. A., Rousseau, R., Malhotra, D. & Cantu, D. C., Jul 26 2017, In : Chemical Reviews. 117, 14, p. 9594-9624 31 p.

Research output: Contribution to journalReview article

66 Citations (Scopus)
2016

Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2

Stolley, R. M., Darmon, J. M., Das, P. & Helm, M., Sep 12 2016, In : Organometallics. 35, 17, p. 2965-2974 10 p.

Research output: Contribution to journalReview article

4 Citations (Scopus)

Thermodynamic Hydricity of Transition Metal Hydrides

Wiedner, E. S., Chambers, M. B., Pitman, C. L., Bullock, R. M., Miller, A. J. M. & Appel, A. M., Aug 10 2016, In : Chemical reviews. 116, 15, p. 8655-8692 38 p.

Research output: Contribution to journalReview article

141 Citations (Scopus)

Toward Benchmarking in Catalysis Science: Best Practices, Challenges, and Opportunities

Bligaard, T., Bullock, R. M., Campbell, C. T., Chen, J. G., Gates, B. C., Gorte, R. J., Jones, C. W., Jones, W. D., Kitchin, J. R. & Scott, S. L., Apr 1 2016, In : ACS Catalysis. 6, 4, p. 2590-2602 13 p.

Research output: Contribution to journalReview article

86 Citations (Scopus)

Virtual Special Issue on Catalysis at the U.S. Department of Energy's National Laboratories

Pruski, M., Sadow, A. D., Slowing, I. I., Marshall, C. L., Stair, P., Rodriguez, J., Harris, A., Somorjai, G. A., Biener, J., Matranga, C., Wang, C., Schaidle, J. A., Beckham, G. T., Ruddy, D. A., Deutsch, T., Alia, S. M., Narula, C., Overbury, S., Toops, T., Bullock, R. M. & 5 others, Peden, C. H. F., Wang, Y., Allendorf, M. D., Nørskov, J. & Bligaard, T., May 6 2016, In : ACS Catalysis. 6, 5, p. 3227-3235 9 p.

Research output: Contribution to journalReview article

2015

Predicting the reactivity of hydride donors in water: Thermodynamic constants for hydrogen

Connelly, S. J., Wiedner, E. S. & Appel, A. M., Apr 7 2015, In : Dalton Transactions. 44, 13, p. 5933-5938 6 p.

Research output: Contribution to journalReview article

41 Citations (Scopus)

Toward molecular catalysts by computer

Raugei, S., Dubois, D. L., Rousseau, R., Chen, S., Ho, M. H., Bullock, R. M. & Dupuis, M., Feb 17 2015, In : Accounts of chemical research. 48, 2, p. 248-255 8 p.

Research output: Contribution to journalReview article

44 Citations (Scopus)
2014

Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO3)3 and (MoO3)3 clusters

Rousseau, R., Dixon, D. A., Kay, B. D. & Dohnálek, Z., Nov 21 2014, In : Chemical Society Reviews. 43, 22, p. 7664-7680 17 p.

Research output: Contribution to journalReview article

60 Citations (Scopus)
2013

Abundant metals give precious hydrogenation performance

Bullock, R. M., Jan 1 2013, In : Science. 342, 6162, p. 1054-1055 2 p.

Research output: Contribution to journalReview article

166 Citations (Scopus)
74 Citations (Scopus)

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

Appel, A. M., Bercaw, J. E., Bocarsly, A. B., Dobbek, H., Dubois, D. L., Dupuis, M., Ferry, J. G., Fujita, E., Hille, R., Kenis, P. J. A., Kerfeld, C. A., Morris, R. H., Peden, C. H. F., Portis, A. R., Ragsdale, S. W., Rauchfuss, T. B., Reek, J. N. H., Seefeldt, L. C., Thauer, R. K. & Waldrop, G. L., Aug 14 2013, In : Chemical reviews. 113, 8, p. 6621-6658 38 p.

Research output: Contribution to journalReview article

952 Citations (Scopus)
2012

Proton delivery and removal in [Ni(PR2NR 22)2]2+ hydrogen production and oxidation catalysts

Ohagan, M., Ho, M. H., Yang, J. Y., Appel, A. M., Dubois, M. R., Raugei, S., Shaw, W. J., Dubois, D. L. & Bullock, R. M., Nov 28 2012, In : Journal of the American Chemical Society. 134, 47, p. 19409-19424 16 p.

Research output: Contribution to journalReview article

98 Citations (Scopus)
2011
32 Citations (Scopus)
169 Citations (Scopus)
2010

Thermally-driven processes on rutile TiO2(1 1 0)-(1 × 1): A direct view at the atomic scale

Dohnálek, Z., Lyubinetsky, I. & Rousseau, R., May 1 2010, In : Progress in Surface Science. 85, 5-8, p. 161-205 45 p.

Research output: Contribution to journalReview article

236 Citations (Scopus)
2007

An iron catalyst for ketone hydrogenations under mild conditions

Bullock, R. M., Oct 16 2007, In : Angewandte Chemie - International Edition. 46, 39, p. 7360-7363 4 p.

Research output: Contribution to journalReview article

110 Citations (Scopus)

Investigating biological systems using first principles Car-Parrinello molecular dynamics simulations

Dal Peraro, M., Ruggerone, P., Raugei, S., Gervasio, F. L. & Carloni, P., Apr 1 2007, In : Current Opinion in Structural Biology. 17, 2, p. 149-156 8 p.

Research output: Contribution to journalReview article

83 Citations (Scopus)
2005

Role of water in electron-initiated processes and radical chemistry: Issues and scientific advances

Garrett, B. C., Dixon, D. A., Camaioni, D. M., Chipman, D. M., Johnson, M. A., Jonah, C. D., Kimmel, G. A., Miller, J. H., Rescigno, T. N., Rossky, P. J., Xantheas, S. S., Colson, S. D., Laufer, A. H., Ray, D., Barbara, P. F., Bartels, D. M., Becker, K. H., Bowen, K. H., Bradforth, S. E., Carmichael, I. & 26 others, Coe, J. V., Corrales, L. R., Cowin, J. P., Dupuis, M., Eisenthal, K. B., Franz, J. A., Gutowski, M. S., Jordan, K. D., Kay, B. D., LaVerne, J. A., Lymar, S. V., Madey, T. E., McCurdy, C. W., Meisel, D., Mukamel, S., Nilsson, A. R., Orlando, T. M., Petrik, N. G., Pimblott, S. M., Rustad, J. R., Schenter, G. K., Singer, S. J., Tokmakoff, A., Wang, L. S., Wittig, C. & Zwier, T. S., Jan 1 2005, In : Chemical reviews. 105, 1, p. 355-389 35 p.

Research output: Contribution to journalReview article

372 Citations (Scopus)

The use of supercritical fluids as solvents for NMR spectroscopy

Yonker, C. R. & Linehan, J. C., Oct 31 2005, In : Progress in Nuclear Magnetic Resonance Spectroscopy. 47, 1-2, p. 95-109 15 p.

Research output: Contribution to journalReview article

39 Citations (Scopus)
2004

Catalytic ionic hydrogenations

Bullock, R. M., May 17 2004, In : Chemistry - A European Journal. 10, 10, p. 2366-2374 9 p.

Research output: Contribution to journalReview article

244 Citations (Scopus)
2001

Catalysis research of relevance to carbon management: Progress, challenges, and opportunities

Arakawa, H., Aresta, M., Armor, J. N., Barteau, M. A., Beckman, E. J., Bell, A. T., Bercaw, J. E., Creutz, C., Dinjus, E., Dixon, D. A., Domen, K., DuBois, D. L., Eckert, J., Fujita, E., Gibson, D. H., Goddard, W. A., Goodman, D. W., Keller, J., Kubas, G. J., Kung, H. H. & 15 others, Lyons, J. E., Manzer, L. E., Marks, T. J., Morokuma, K., Nicholas, K. M., Periana, R., Que, L., Rostrup-Nielson, J., Sachtler, W. M. H., Schmidt, L. D., Sen, A., Somorjai, G. A., Stair, P. C., Ray Stults, B. & Tumas, W., Apr 1 2001, In : Chemical reviews. 101, 4, p. 953-996 44 p.

Research output: Contribution to journalReview article

971 Citations (Scopus)
1994

Comparison of μ2-scaled Hückel theory and Hartree-Fock theory of boranes and carboranes

Rousseau, R. & Lee, S., Jan 1 1994, In : The Journal of Chemical Physics. 101, 12, p. 10753-10765 13 p.

Research output: Contribution to journalReview article

11 Citations (Scopus)