Daniel DuBois, Ph.D. - Publications

Affiliations: 
Pacific Northwest National Laboratory, USA 
Area:
Catalysis, Synthesis

115 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Liao Q, Liu T, Johnson SI, Klug CM, Wiedner ES, Morris Bullock R, DuBois DL. Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines. Dalton Transactions (Cambridge, England : 2003). PMID 30882832 DOI: 10.1039/c9dt00708c  0.68
2015 Ho MH, O'Hagan M, Dupuis M, DuBois DL, Bullock RM, Shaw WJ, Raugei S. Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts. Dalton Transactions (Cambridge, England : 2003). 44: 10969-79. PMID 25999141 DOI: 10.1039/c5dt00782h  1
2015 Raugei S, DuBois DL, Rousseau R, Chen S, Ho MH, Bullock RM, Dupuis M. Toward molecular catalysts by computer. Accounts of Chemical Research. 48: 248-55. PMID 25574854 DOI: 10.1021/ar500342g  1
2015 Liu T, Liao Q, O'Hagan M, Hulley EB, DuBois DL, Bullock RM. Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2 Organometallics. 34: 2747-2764. DOI: 10.1021/om501289f  1
2015 Ho MH, Rousseau R, Roberts JAS, Wiedner ES, Dupuis M, Dubois DL, Bullock RM, Raugei S. Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts Acs Catalysis. 5: 5436-5452. DOI: 10.1021/acscatal.5b01152  1
2014 Dutta A, DuBois DL, Roberts JA, Shaw WJ. Amino acid modified Ni catalyst exhibits reversible H2 oxidation/production over a broad pH range at elevated temperatures. Proceedings of the National Academy of Sciences of the United States of America. 111: 16286-91. PMID 25368196 DOI: 10.1073/pnas.1416381111  0.64
2014 Liu T, Wang X, Hoffmann C, DuBois DL, Bullock RM. Heterolytic cleavage of hydrogen by an iron hydrogenase model: an Fe-Hâ‹…â‹…â‹…H-N dihydrogen bond characterized by neutron diffraction. Angewandte Chemie (International Ed. in English). 53: 5300-4. PMID 24757087 DOI: 10.1002/anie.201402090  1
2014 DuBois DL. Development of molecular electrocatalysts for energy storage. Inorganic Chemistry. 53: 3935-60. PMID 24555579 DOI: 10.1021/ic4026969  1
2014 Liu T, Dubois MR, Dubois DL, Bullock RM. Electrochemical oxidation of H2 catalyzed by ruthenium hydride complexes bearing P2N2 ligands with pendant amines as proton relays Energy and Environmental Science. 7: 3630-3639. DOI: 10.1039/c4ee01262c  1
2014 Fang M, Wiedner ES, Dougherty WG, Kassel WS, Liu T, Dubois DL, Bullock RM. Cobalt complexes containing pendant amines in the second coordination sphere as electrocatalysts for H2 production Organometallics. 33: 5820-5833. DOI: 10.1021/om5004607  1
2014 Chen S, Ho MH, Bullock RM, Dubois DL, Dupuis M, Rousseau R, Raugei S. Computing free energy landscapes: Application to Ni-based electrocatalysts with pendant amines for H2 production and oxidation Acs Catalysis. 4: 229-242. DOI: 10.1021/cs401104w  1
2014 Chen S, Ho MH, Bullock RM, Dubois DL, Dupuis M, Rousseau R, Raugei S. Computing free energy landscapes: Application to Ni-based electrocatalysts with pendant amines for H2 production and oxidation Acs Catalysis. 4: 229-242. DOI: 10.1021/cs401104w  1
2014 Guyonnet D, Planchon M, Rollat A, Escalon V, Tuduri J, Charles N, Vaxelaire S, Dubois D, Fargier H. Material flow analysis applied to rare earth elements in Europe Journal of Cleaner Production. DOI: 10.1016/j.jclepro.2015.04.123  0.01
2014 Benamor N, Dubois D, Gouider H, Prade H. Possibilistic networks: A new setting for modeling preferences Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 8720.  0.01
2014 Benamor N, Dubois D, Gouider H, Prade H. Possibilistic networks: A new setting for modeling preferences Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 8720.  0.01
2013 Wiedner ES, Appel AM, DuBois DL, Bullock RM. Thermochemical and mechanistic studies of electrocatalytic hydrogen production by cobalt complexes containing pendant amines. Inorganic Chemistry. 52: 14391-403. PMID 24261463 DOI: 10.1021/ic4025475  1
2013 Wiedner ES, Roberts JA, Dougherty WG, Kassel WS, DuBois DL, Bullock RM. Synthesis and electrochemical studies of cobalt(III) monohydride complexes containing pendant amines. Inorganic Chemistry. 52: 9975-88. PMID 23945020 DOI: 10.1021/ic401232g  1
2013 Hulley EB, Welch KD, Appel AM, DuBois DL, Bullock RM. Rapid, reversible heterolytic cleavage of bound H2. Journal of the American Chemical Society. 135: 11736-9. PMID 23889300 DOI: 10.1021/ja405755j  1
2013 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, et al. Frontiers, opportunities, and challenges in biochemical and chemical catalysis of CO2 fixation. Chemical Reviews. 113: 6621-58. PMID 23767781 DOI: 10.1021/cr300463y  1
2013 Yang JY, Smith SE, Liu T, Dougherty WG, Hoffert WA, Kassel WS, Rakowski DuBois M, DuBois DL, Bullock RM. Two pathways for electrocatalytic oxidation of hydrogen by a nickel bis(diphosphine) complex with pendant amines in the second coordination sphere. Journal of the American Chemical Society. 135: 9700-12. PMID 23631473 DOI: 10.1021/ja400705a  1
2013 Liu T, Dubois DL, Bullock RM. An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen. Nature Chemistry. 5: 228-233. PMID 23422565 DOI: 10.1038/nchem.1571  1
2013 Shaw WJ, Helm ML, DuBois DL. A modular, energy-based approach to the development of nickel containing molecular electrocatalysts for hydrogen production and oxidation. Biochimica Et Biophysica Acta. 1827: 1123-39. PMID 23313415 DOI: 10.1016/j.bbabio.2013.01.003  0.64
2013 Franz JA, O'Hagan M, Ho MH, Liu T, Helm ML, Lense S, Dubois DL, Shaw WJ, Appel AM, Raugei S, Bullock RM. Conformational dynamics and proton relay positioning in nickel catalysts for hydrogen production and oxidation Organometallics. 32: 7034-7042. DOI: 10.1021/om400695w  1
2013 Wiese S, Kilgore UJ, Ho MH, Raugei S, Dubois DL, Bullock RM, Helm ML. Hydrogen production using nickel electrocatalysts with pendant amines: Ligand effects on rates and overpotentials Acs Catalysis. 3: 2527-2535. DOI: 10.1021/cs400638f  1
2012 O'Hagan M, Ho MH, Yang JY, Appel AM, Rakowski DuBois M, Raugei S, Shaw WJ, DuBois DL, Bullock RM. Proton delivery and removal in [Ni(P(R)2N(R')2)2]2+ hydrogen production and oxidation catalysts. Journal of the American Chemical Society. 134: 19409-24. PMID 23072436 DOI: 10.1021/ja307413x  1
2012 Pool DH, Stewart MP, O'Hagan M, Shaw WJ, Roberts JA, Bullock RM, DuBois DL. Acidic ionic liquid/water solution as both medium and proton source for electrocatalytic H2 evolution by [Ni(P2N2)2]2+ complexes. Proceedings of the National Academy of Sciences of the United States of America. 109: 15634-9. PMID 22685211 DOI: 10.1073/pnas.1120208109  1
2012 Raugei S, Chen S, Ho MH, Ginovska-Pangovska B, Rousseau RJ, Dupuis M, DuBois DL, Bullock RM. The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 6493-506. PMID 22532421 DOI: 10.1002/chem.201103346  1
2012 Liu T, Chen S, O'Hagan MJ, Rakowski DuBois M, Bullock RM, DuBois DL. Synthesis, characterization, and reactivity of Fe complexes containing cyclic diazadiphosphine ligands: the role of the pendant base in heterolytic cleavage of H2. Journal of the American Chemical Society. 134: 6257-72. PMID 22394350 DOI: 10.1021/ja211193j  1
2012 Weiss CJ, Groves AN, Mock MT, Dougherty WG, Kassel WS, Helm ML, DuBois DL, Bullock RM. Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines. Dalton Transactions (Cambridge, England : 2003). 41: 4517-29. PMID 22344347 DOI: 10.1039/c2dt12224c  1
2012 Smith SE, Yang JY, DuBois DL, Bullock RM. Reversible electrocatalytic production and oxidation of hydrogen at low overpotentials by a functional hydrogenase mimic. Angewandte Chemie (International Ed. in English). 51: 3152-5. PMID 22334352 DOI: 10.1002/anie.201108461  1
2012 Seu CS, Appel AM, Doud MD, Dubois DL, Kubiak CP. Formate oxidation via β-deprotonation in [Ni(P R 2N R' 2) 2(CH 3CN)] 2+ complexes Energy and Environmental Science. 5: 6480-6490. DOI: 10.1039/c2ee03341k  1
2012 Wiedner ES, Yang JY, Chen S, Raugei S, Dougherty WG, Kassel WS, Helm ML, Bullock RM, DuBois MR, DuBois DL. Stabilization of nickel complexes with Ni 0H-N bonding interactions using sterically demanding cyclic diphosphine ligands Organometallics. 31: 144-156. DOI: 10.1021/om200709z  1
2012 Wiese S, Kilgore UJ, Dubois DL, Bullock RM. [Ni(P Me 2N Ph 2) 2] (BF 4) 2 as an electrocatalyst for H 2 production Acs Catalysis. 2: 720-727. DOI: 10.1021/cs300019h  1
2012 Jain A, Helm ML, Linehan JC, Dubois DL, Shaw WJ. Biologically inspired phosphino platinum complexes Inorganic Chemistry Communications. 22: 65-67. DOI: 10.1016/j.inoche.2012.04.039  1
2012 Waggoner NW, Spreer LS, Boro BJ, Dubois DL, Helm ML. Group 10 complexes containing phosphinomethylamine ligands: Synthesis, structural analysis and electrochemical studies Inorganica Chimica Acta. 380: 14-21. DOI: 10.1016/j.ica.2011.07.001  1
2011 Mock MT, Potter RG, O'Hagan MJ, Camaioni DM, Dougherty WG, Kassel WS, DuBois DL. Synthesis and hydride transfer reactions of cobalt and nickel hydride complexes to BX3 compounds. Inorganic Chemistry. 50: 11914-28. PMID 22040085 DOI: 10.1021/ic200857x  1
2011 Kilgore UJ, Stewart MP, Helm ML, Dougherty WG, Kassel WS, DuBois MR, DuBois DL, Bullock RM. Studies of a series of [Ni(P(R)2N(Ph)2)2(CH3CN)]2+ complexes as electrocatalysts for H2 production: substituent variation at the phosphorus atom of the P2N2 ligand. Inorganic Chemistry. 50: 10908-18. PMID 21999814 DOI: 10.1021/ic201461a  1
2011 Mock MT, Chen S, Rousseau R, O'Hagan MJ, Dougherty WG, Kassel WS, DuBois DL, Bullock RM. A rare terminal dinitrogen complex of chromium. Chemical Communications (Cambridge, England). 47: 12212-4. PMID 21993453 DOI: 10.1039/c1cc15430c  1
2011 Helm ML, Stewart MP, Bullock RM, DuBois MR, DuBois DL. A synthetic nickel electrocatalyst with a turnover frequency above 100,000 s⁻¹ for H₂ production. Science (New York, N.Y.). 333: 863-6. PMID 21836012 DOI: 10.1126/science.1205864  1
2011 Roberts JA, Franz JA, van der Eide EF, Walter ED, Petersen JL, DuBois DL, Bullock RM. Comproportionation of cationic and anionic tungsten complexes having an N-heterocyclic carbene ligand to give the isolable 17-electron tungsten radical CpW(CO)2(IMes)(•). Journal of the American Chemical Society. 133: 14593-603. PMID 21786753 DOI: 10.1021/ja202754e  1
2011 Roberts JA, Appel AM, DuBois DL, Bullock RM. Comprehensive thermochemistry of W-H bonding in the metal hydrides CpW(CO)2(IMes)H, [CpW(CO)2(IMes)H](•+), and [CpW(CO)2(IMes)(H)2]+. Influence of an N-heterocyclic carbene ligand on metal hydride bond energies. Journal of the American Chemical Society. 133: 14604-13. PMID 21780811 DOI: 10.1021/ja202830w  1
2011 Galan BR, Schöffel J, Linehan JC, Seu C, Appel AM, Roberts JA, Helm ML, Kilgore UJ, Yang JY, DuBois DL, Kubiak CP. Electrocatalytic oxidation of formate by [Ni(P(R)2N(R')2)2(CH3CN)]2+ complexes. Journal of the American Chemical Society. 133: 12767-79. PMID 21692477 DOI: 10.1021/ja204489e  1
2011 O'Hagan M, Shaw WJ, Raugei S, Chen S, Yang JY, Kilgore UJ, DuBois DL, Bullock RM. Moving protons with pendant amines: proton mobility in a nickel catalyst for oxidation of hydrogen. Journal of the American Chemical Society. 133: 14301-12. PMID 21595478 DOI: 10.1021/ja201838x  1
2011 Dupuis M, Chen S, Raugei S, DuBois DL, Bullock RM. Comment on "New insights in the electrocatalytic proton reduction and hydrogen oxidation by bioinspired catalysts: a DFT investigation". The Journal of Physical Chemistry. A. 115: 4861-5. PMID 21504191 DOI: 10.1021/jp111479z  1
2011 Jain A, Lense S, Linehan JC, Raugei S, Cho H, DuBois DL, Shaw WJ. Incorporating peptides in the outer-coordination sphere of bioinspired electrocatalysts for hydrogen production. Inorganic Chemistry. 50: 4073-85. PMID 21456543 DOI: 10.1021/ic1025872  1
2011 Kilgore UJ, Roberts JA, Pool DH, Appel AM, Stewart MP, DuBois MR, Dougherty WG, Kassel WS, Bullock RM, DuBois DL. [Ni(P(Ph)2N(C6H4X)2)2]2+ complexes as electrocatalysts for H2 production: effect of substituents, acids, and water on catalytic rates. Journal of the American Chemical Society. 133: 5861-72. PMID 21438562 DOI: 10.1021/ja109755f  1
2011 Yang JY, Bullock RM, DuBois MR, DuBois DL. Fast and efficient molecular electrocatalysts for H2 production: Using hydrogenase enzymes as guides Mrs Bulletin. 36: 39-47. DOI: 10.1557/mrs.2010.8  1
2011 Small YA, Dubois DL, Fujita E, Muckerman JT. Proton management as a design principle for hydrogenase-inspired catalysts Energy and Environmental Science. 4: 3008-3020. DOI: 10.1039/c1ee01170g  1
2011 Chen S, Rousseau R, Raugei S, Dupuis M, DuBois DL, Bullock RM. Comprehensive thermodynamics of nickel hydride bis(diphosphine) complexes: A predictive model through computations Organometallics. 30: 6108-6118. DOI: 10.1021/om200645x  1
2011 Roberts JAS, Dubois DL, Bullock RM. Experimental and digital simulation studies of the electrochemical oxidation of the metal anion [CpW(CO)2(IMes)]- and the 17-electron metal radical CpW(CO)2(IMes)•. Kinetics and thermodynamics of capture and release of MeCN by a metal radical and a metal cation Organometallics. 30: 4555-4563. DOI: 10.1021/om2002816  1
2011 Appel AM, Pool DH, O'Hagan M, Shaw WJ, Yang JY, Rakowski Dubois M, Dubois DL, Bullock RM. [Ni(PPh 2NBn 2) 2(CH3CN)]2+ as an electrocatalyst for H 2 production: Dependence on acid strength and isomer distribution Acs Catalysis. 1: 777-785. DOI: 10.1021/cs2000939  1
2011 DuBois DL, Morris Bullock R. Molecular electrocatalysts for the oxidation of hydrogen and the production of hydrogen - The role of pendant amines as proton relays European Journal of Inorganic Chemistry. 1017-1027. DOI: 10.1002/ejic.201001081  1
2011 Raugei S, Chen S, Ho M, Rousseau R, Dupuis M, Dubois DL, Bullock RM. Ni(II) complexes for hydrogen oxidation and hydrogen production: An ab-initio molecular dynamics investigation Acs National Meeting Book of Abstracts 1
2011 Yang J, Smith SE, O'Hagan M, Kilgore UJ, Dubois MR, Bullock RM, Dubois DL. Molecular nickel diphosphine electrocatalysts for hydrogen oxidation and production: The function of proton relays in the secondary coordination sphere Acs National Meeting Book of Abstracts 1
2011 Boro BJ, Appel AM, Galan BR, Linehan JC, Dubois DL. Preparation of electrocataysts for the reduction of CO 2 to CO Acs National Meeting Book of Abstracts 1
2011 DuBois D. Development of molecular electrocatalysts for hydrogen production and carbon dioxide reduction Acs National Meeting Book of Abstracts 1
2011 Galan BR, Linehan JC, Appel AM, Rakowski-DuBois MC, Dubois DL. Hydrogenation of carbon dioxide to formate using ruthenium bis(diphosphino) complexes: Investigation of ligands containing proton relays Acs National Meeting Book of Abstracts 1
2011 Pool DH, Dubois DL. Modifying electrodes with nickel-based molecular electrocatalysts for hydrogen production Acs National Meeting Book of Abstracts 1
2011 Bullock RM, Yang JY, Roberts JAS, Kilgore UJ, Helm ML, Smith SE, Stewart MP, Dubois DL. Nickel(II) electrocatalysts with pendant amines as proton relays for production of hydrogen and oxidation of hydrogen Acs National Meeting Book of Abstracts 1
2011 Raugei S, Chen S, Ho M, Rousseau RJ, Dupuis M, Dubois DL, Morris Bullock R. Theoretical investigation of Ni(II) complexes for hydrogen oxidation and hydrogen production Acs National Meeting Book of Abstracts 1
2011 DuBois DL, Boro BJ, Galan B, Linehan JC, Schöffel J, Kubiak C. Design of molecular electrocatalysts for carbon dioxide reduction and formate oxidation Acs National Meeting Book of Abstracts 1
2011 Appel AM, Linehan JC, Boro BJ, Galan BR, Dubois DL. Molecular catalysts for the reduction of CO2 Acs National Meeting Book of Abstracts 1
2011 Bullock RM, Yang JY, Roberts JAS, Kilgore UJ, Wiedner ES, Liu T, Dubois DL. Nickel and cobalt catalysts for production of H2 and oxidation of H2: Shoving protons around with pendant amines Acs National Meeting Book of Abstracts 1
2011 Mock MT, Groves AN, Weiss CJ, Chen S, Rousseau R, Dubois DL, Bullock RM. Group 6 dinitrogen complexes supported by diphosphine ligands containing proton relays: Toward the reduction of dinitrogen to ammonia Acs National Meeting Book of Abstracts 1
2011 DuBois DL. Development of molecular electrocatalysts for hydrogen generation and utilization Acs National Meeting Book of Abstracts 1
2011 Yang JY, O'Hagan M, Shaw W, Appel A, Smith S, Bullock RM, DuBois MR, DuBois DL. Role of proton relays in molecular electrocatalysts for hydrogen oxidation and production Acs National Meeting Book of Abstracts 1
2010 Yang JY, Chen S, Dougherty WG, Kassel WS, Bullock RM, DuBois DL, Raugei S, Rousseau R, Dupuis M, Rakowski DuBois M. Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines. Chemical Communications (Cambridge, England). 46: 8618-20. PMID 20938535 DOI: 10.1039/c0cc03246h  1
2010 Wilson AD, Miller AJ, Dubois DL, Labinger JA, Bercaw JE. Thermodynamic studies of [H(2)Rh(diphosphine)(2)](+) and [HRh(diphosphine)(2)(CH(3)CN)](2+) complexes in acetonitrile. Inorganic Chemistry. 49: 3918-26. PMID 20334390 DOI: 10.1021/ic100117y  1
2010 Yang JY, Bullock RM, Dougherty WG, Kassel WS, Twamley B, DuBois DL, Rakowski DuBois M. Reduction of oxygen catalyzed by nickel diphosphine complexes with positioned pendant amines. Dalton Transactions (Cambridge, England : 2003). 39: 3001-10. PMID 20221533 DOI: 10.1039/b921245k  1
2010 Welch KD, Dougherty WG, Kassel WS, Dubois DL, Bullock RM. Synthesis, structures, and reactions of manganese complexes containing diphosphine ligands with pendant amines Organometallics. 29: 4532-4540. DOI: 10.1021/om100668e  1
2010 Wiedner ES, Yang JY, Dougherty WG, Kassel WS, Bullock RM, Dubois MR, Dubois DL. Comparison of cobalt and nickel complexes with sterically demanding cyclic diphosphine ligands: Electrocatalytic H2 production by [Co(P tBu 2NPh 2)(CH3CN) 3](BF4)2 Organometallics. 29: 5390-5401. DOI: 10.1021/om100395r  1
2010 Dubois MR, Dubois DL. A Modular Approach to the Development of Molecular Electrocatalysts for H2 Oxidation and Production Based on Inexpensive Metals Catalysis Without Precious Metals. 165-180. DOI: 10.1002/9783527631582.ch7  1
2010 Boro BJ, Bullock M, Dubois DL. Preparation of nickel and palladium electrocatalysts for the reduction of CO2 Acs National Meeting Book of Abstracts 1
2010 Dubois DL, Dubois MCR, Bullock RM. Modular approach to molecular electrocatalysts for H2 production and oxidation Acs National Meeting Book of Abstracts 1
2010 Bullock RM, Yang JY, Wiedner ES, Welch KD, Dubois DL. Molecular catalysts for oxidation of hydrogen and production of hydrogen: Shoving protons around with pendant amines Acs National Meeting Book of Abstracts 1
2010 Rakowski-DuBois M, Dubois D, Bullock RM. Nickel catalysts for hydrogen oxidation and production containing diphosphine ligands with pendant amine bases Acs National Meeting Book of Abstracts 1
2009 Mock MT, Potter RG, Camaioni DM, Li J, Dougherty WG, Kassel WS, Twamley B, DuBois DL. Thermodynamic studies and hydride transfer reactions from a rhodium complex to BX3 compounds. Journal of the American Chemical Society. 131: 14454-65. PMID 19754124 DOI: 10.1021/ja905287q  1
2009 Rakowski DuBois M, DuBois DL. Development of molecular electrocatalysts for CO2 reduction and H2 production/oxidation. Accounts of Chemical Research. 42: 1974-82. PMID 19645445 DOI: 10.1021/ar900110c  1
2009 Yang JY, Bullock RM, Shaw WJ, Twamley B, Fraze K, DuBois MR, DuBois DL. Mechanistic insights into catalytic h(2) oxidation by ni complexes containing a diphosphine ligand with a positioned amine base. Journal of the American Chemical Society. 131: 5935-45. PMID 19341269 DOI: 10.1021/ja900483x  1
2009 Appel AM, Lee SJ, Franz JA, DuBois DL, DuBois MR. Free energy landscapes for S-H bonds in Cp*2Mo2S4 complexes. Journal of the American Chemical Society. 131: 5224-32. PMID 19309157 DOI: 10.1021/ja8093179  1
2009 Rakowski DuBois M, DuBois DL. The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation. Chemical Society Reviews. 38: 62-72. PMID 19088965 DOI: 10.1039/b801197b  1
2009 Appel AM, Lee SJ, Franz JA, DuBois DL, DuBois MR, Twamley B. Determination of S - H bond strengths in dimolybdenum tetrasulfide complexes Organometallics. 28: 749-754. DOI: 10.1021/om800875n  1
2009 Pool DH, DuBois DL. [Ni(PPh 2NAr 2)2(NCMe)][BF4]2 as an electrocatalyst for H2 production: PPh 2NAr 2 = 1,5-(di(4-(thiophene-3-yl)phenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) Journal of Organometallic Chemistry. 694: 2858-2865. DOI: 10.1016/j.jorganchem.2009.04.010  1
2009 Muckerman JT, Small YA, Skone JH, DuBois DL, Fujita E. Theoretical design of hydrogenase-inspired molecular hydrogen production catalysts through calculated free-energy landscapes and coupled Pourbaix diagrams Acs National Meeting Book of Abstracts 1
2009 Potter RG, Camaioni DM, Mock MT, Dubois DL. Toward regeneration of ammonia borane: Thermodynamic study of Lewis Base-borane compounds in THF Acs National Meeting Book of Abstracts 1
2008 Liu J, Cao G, Yang Z, Wang D, Dubois D, Zhou X, Graff GL, Pederson LR, Zhang JG. Oriented nanostructures for energy conversion and storage. Chemsuschem. 1: 676-97. PMID 18693284 DOI: 10.1002/cssc.200800087  1
2008 Appel AM, Lee SJ, Franz JA, DuBois DL, DuBois MR, Birnbaum JC, Twamley B. Formation and reactivity of a persistent radical in a dinuclear molybdenum complex. Journal of the American Chemical Society. 130: 8940-51. PMID 18564842 DOI: 10.1021/ja078115r  1
2008 Wilson AD, Fraze K, Twamley B, Miller SM, DuBois DL, DuBois MR. The role of the second coordination sphere of [Ni(PCy2NBz2)2](BF4)2 in reversible carbon monoxide binding. Journal of the American Chemical Society. 130: 1061-8. PMID 18163630 DOI: 10.1021/ja077328d  1
2008 Jacobsen GM, Yang JY, Twamley B, Wilson AD, Bullock RM, Rakowski Dubois M, Dubois DL. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy and Environmental Science. 1: 167-174. DOI: 10.1039/b805309j  1
2008 Nimlos MR, Chang CH, Curtis CJ, Miedaner A, Pilath HM, DuBois DL. Calculated hydride donor abilities of five-coordinate transition metal hydrides [HM(diphosphine)2]+ (M = Ni, Pd, Pt) as a function of the bite angle and twist angle of diphosphine ligands Organometallics. 27: 2715-2722. DOI: 10.1021/om701218x  1
2008 DuBois MR, DuBois DL. The role of pendant bases in molecular catalysts for H2 oxidation and production Comptes Rendus Chimie. 11: 805-817. DOI: 10.1016/j.crci.2008.01.019  1
2008 Dubois DL, Appel AM. Roles of the first and second coordination spheres in carbon dioxide reduction catalysts Acs National Meeting Book of Abstracts 1
2008 DuBois DL, Yang JY, Rakowski Dubois M. Electrocatalytic oxidation and production of hydrogen using cobalt and nickel complexes containing diphospine ligands with pendant nitrogen bases Acs National Meeting Book of Abstracts 1
2008 Potter RG, Mock MT, Li J, Camaioni DM, Dubois DL. Toward the regeneration of ammonia borane: Modeling hydride transfer to prospective BX3 compounds Acs National Meeting Book of Abstracts 1
2008 Mock MT, Potter RG, Dubois DL, Camaioni DM, Autrey T, Linehan JC. Hydride transfer from transition metal complexes to BX3: An approach to the regeneration of ammonia borane from H2 Acs National Meeting Book of Abstracts 1
2007 Wilson AD, Shoemaker RK, Miedaner A, Muckerman JT, DuBois DL, DuBois MR. Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases. Proceedings of the National Academy of Sciences of the United States of America. 104: 6951-6. PMID 17360385 DOI: 10.1073/pnas.0608928104  1
2007 Redin K, Wilson AD, Newell R, DuBois MR, DuBois DL. Studies of structural effects on the half-wave potentials of mononuclear and dinuclear nickel(II) diphosphine/dithiolate complexes. Inorganic Chemistry. 46: 1268-76. PMID 17249658 DOI: 10.1021/ic061740x  1
2007 Jacobsen GM, Shoemaker RK, McNevin MJ, Dubois MR, Dubois DL. Syntheses and structural characterizations of iron(II) complexes containing cyclic diphosphine ligands with positioned pendant nitrogen bases Organometallics. 26: 5003-5009. DOI: 10.1021/om700601h  1
2007 Jacobsen GM, Shoemaker RK, Rakowski Dubois M, Dubois DL. Syntheses and reactions of iron(II) complexes containing diphosphine ligands with pendant nitrogen bases Organometallics. 26: 4964-4971. DOI: 10.1021/om700510b  1
2007 Fraze K, Wilson AD, Appel AM, DuBois MR, Dubois DL. Thermodynamic properties of the Ni - H bond in complexes of the type [HNi(P 2 RN 2 R′) 2](BF 4) and evaluation of factors that control catalytic activity for hydrogen oxidation/production Organometallics. 26: 3918-3924. DOI: 10.1021/om070143v  1
2007 Camaioni DM, Heldebrant DJ, Linehan JC, Shaw WJ, Li J, DuBois DL, Autrey T. Toward regenerating ammonia borane from spent fuel Acs National Meeting Book of Abstracts 1
2007 DuBois DL, Rakowski Dubois MC, Curtis C, Franz JA, Linehan JC. Role of the first coordination sphere in hydrogen oxidation/production, hydrogen storage, and carbon dioxide reduction catalysts Acs National Meeting Book of Abstracts 1
2006 Henry RM, Shoemaker RK, DuBois DL, DuBois MR. Pendant bases as proton relays in iron hydride and dihydrogen complexes. Journal of the American Chemical Society. 128: 3002-10. PMID 16506781 DOI: 10.1021/ja057242p  1
2006 Wilson AD, Newell RH, McNevin MJ, Muckerman JT, Rakowski DuBois M, DuBois DL. Hydrogen oxidation and production using nickel-based molecular catalysts with positioned proton relays. Journal of the American Chemical Society. 128: 358-66. PMID 16390166 DOI: 10.1021/ja056442y  1
2006 DuBois DL, Blake DM, Miedaner A, Curtis CJ, DuBois MR, Franz JA, Linehan JC. Hydride transfer from rhodium complexes to triethylborane Organometallics. 25: 4414-4419. DOI: 10.1021/om060584z  1
2006 Raebiger JW, Turner JW, Noll BC, Curtis CJ, Miedaner A, Cox B, DuBois DL. Electrochemical reduction of CO 2 to CO catalyzed by a bimetallic palladium complex Organometallics. 25: 3345-3351. DOI: 10.1021/om060228g  1
2005 Appel AM, DuBois DL, DuBois MR. Molybdenum-sulfur dimers as electrocatalysts for the production of hydrogen at low overpotentials. Journal of the American Chemical Society. 127: 12717-26. PMID 16144422 DOI: 10.1021/ja054034o  0.64
2005 Appel AM, Newell R, DuBois DL, Rakowski DuBois M. Concentration of carbon dioxide by electrochemically modulated complexation with a binuclear copper complex. Inorganic Chemistry. 44: 3046-56. PMID 15847408 DOI: 10.1021/ic050023k  1
2004 Raebiger JW, Miedaner A, Curtis CJ, Miller SM, Anderson OP, DuBois DL. Using ligand bite angles to control the hydricity of palladium diphosphine complexes. Journal of the American Chemical Society. 126: 5502-14. PMID 15113222 DOI: 10.1021/ja0395240  1
2004 Ellis WW, Raebiger JW, Curtis CJ, Bruno JW, DuBois DL. Hydricities of BzNADH, CH5Mo(PMe3)(CO)2H, and C5Me5Mo(PMe3)(CO)2H in acetonitrile. Journal of the American Chemical Society. 126: 2738-43. PMID 14995190 DOI: 10.1021/ja038567d  1
2003 Ellis WW, Ciancanelli R, Miller SM, Raebiger JW, Rakowski DuBois M, DuBois DL. Thermodynamic hydride donor abilities of [HW(CO)4L]- complexes (L = PPh3, P(OMe)3, CO) and their reactions with [C5Me5Re(PMe3)(NO)(CO)]+. Journal of the American Chemical Society. 125: 12230-6. PMID 14519008 DOI: 10.1021/ja036524r  1
2003 Curtis CJ, Miedaner A, Ciancanelli R, Ellis WW, Noll BC, Rakowski DuBois M, DuBois DL. [Ni(Et2PCH2NMeCH2PEt2)2]2+ as a functional model for hydrogenases. Inorganic Chemistry. 42: 216-27. PMID 12513098 DOI: 10.1021/ic020610v  1
2002 Ciancanelli R, Noll BC, DuBois DL, DuBois MR. Comprehensive thermodynamic characterization of the metal-hydrogen bond in a series of cobalt-hydride complexes. Journal of the American Chemical Society. 124: 2984-92. PMID 11902890  0.64
2002 Ellis WW, Miedaner A, Curtis CJ, Gibson DH, DuBois DL. Hydride donor abilities and bond dissociation free energies of transition metal formyl complexes. Journal of the American Chemical Society. 124: 1926-32. PMID 11866605 DOI: 10.1021/ja0116831  1
2002 Curtis CJ, Miedaner A, Ellis WW, DuBois DL. Measurement of the hydride donor abilities of [HM(diphosphine)2]+ complexes (M = Ni, Pt) by heterolytic activation of hydrogen. Journal of the American Chemical Society. 124: 1918-25. PMID 11866604 DOI: 10.1021/ja0116829  1
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