| High catalytic rates for hydrogen production using nickel electrocatalysts with seven-membered cyclic diphosphine ligands containing one pendant amine MP Stewart, MH Ho, S Wiese, ML Lindstrom, CE Thogerson, S Raugei, ... Journal of the American Chemical Society 135 (16), 6033-6046, 2013 | 160 | 2013 |
| Proton Delivery and Removal in [Ni(PR2NR′2)2]2+ Hydrogen Production and Oxidation Catalysts M O’Hagan, MH Ho, JY Yang, AM Appel, MR DuBois, S Raugei, WJ Shaw, ... Journal of the American Chemical Society 134 (47), 19409-19424, 2012 | 140 | 2012 |
| The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes S Raugei, S Chen, MH Ho, B Ginovska‐Pangovska, RJ Rousseau, ... Chemistry–A European Journal 18 (21), 6493-6506, 2012 | 122 | 2012 |
| Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase B Ginovska-Pangovska, MH Ho, JC Linehan, Y Cheng, M Dupuis, ... Biochimica et Biophysica Acta (BBA)-Bioenergetics 1837 (1), 131-138, 2014 | 94 | 2014 |
| Hydrogen production using nickel electrocatalysts with pendant amines: ligand effects on rates and overpotentials S Wiese, UJ Kilgore, MH Ho, S Raugei, DL DuBois, RM Bullock, ML Helm ACS Catalysis 3 (11), 2527-2535, 2013 | 91 | 2013 |
| Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H2 Production and Oxidation S Chen, MH Ho, RM Bullock, DL DuBois, M Dupuis, R Rousseau, ... ACS Catalysis 4 (1), 229-242, 2014 | 79 | 2014 |
| Toward molecular catalysts by computer S Raugei, DL DuBois, R Rousseau, S Chen, MH Ho, RM Bullock, ... Accounts of chemical research 48 (2), 248-255, 2015 | 75 | 2015 |
| Understanding the effect of magnesium ion concentration on the catalytic activity of ribonuclease H through computation: does a third metal binding site modulate endonuclease … MH Ho, M De Vivo, M Dal Peraro, ML Klein Journal of the American Chemical Society 132 (39), 13702-13712, 2010 | 64 | 2010 |
| The Role of a Dipeptide Outer‐Coordination Sphere on H2‐Production Catalysts: Influence on Catalytic Rates and Electron Transfer ML Reback, B Ginovska‐Pangovska, MH Ho, A Jain, TC Squier, S Raugei, ... Chemistry–A European Journal 19 (6), 1928-1941, 2013 | 44 | 2013 |
| Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts MH Ho, R Rousseau, JAS Roberts, ES Wiedner, M Dupuis, DL DuBois, ... ACS Catalysis 5 (9), 5436-5452, 2015 | 42 | 2015 |
| Conformational dynamics and proton relay positioning in nickel catalysts for hydrogen production and oxidation JA Franz, M O’Hagan, MH Ho, T Liu, ML Helm, S Lense, DL DuBois, ... Organometallics 32 (23), 7034-7042, 2013 | 40 | 2013 |
| Controlling proton movement: electrocatalytic oxidation of hydrogen by a nickel (II) complex containing proton relays in the second and outer coordination spheres P Das, MH Ho, M O'Hagan, WJ Shaw, RM Bullock, S Raugei, ML Helm Dalton Transactions 43 (7), 2744-2754, 2014 | 39 | 2014 |
| Unraveling the catalytic pathway of metalloenzyme farnesyltransferase through QM/MM computation MH Ho, MD Vivo, MD Peraro, ML Klein Journal of chemical theory and computation 5 (6), 1657-1666, 2009 | 39 | 2009 |
| Incorporating amino acid esters into catalysts for hydrogen oxidation: steric and electronic effects and the role of water as a base S Lense, MH Ho, S Chen, A Jain, S Raugei, JC Linehan, JAS Roberts, ... Organometallics 31 (19), 6719-6731, 2012 | 33 | 2012 |
| Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts MH Ho, M O'Hagan, M Dupuis, DL DuBois, RM Bullock, WJ Shaw, ... Dalton Transactions 44 (24), 10969-10979, 2015 | 31 | 2015 |
| Bulk and interfacial aqueous fluoride: An investigation via first principles molecular dynamics MH Ho, ML Klein, IFW Kuo The Journal of Physical Chemistry A 113 (10), 2070-2074, 2009 | 28 | 2009 |
| Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron− Dioxygen Intermediates and Proton Transfer in Superoxide Reductase PHL Sit, A Migliore, MH Ho, ML Klein Journal of Chemical Theory and Computation 6 (9), 2896-2909, 2010 | 20 | 2010 |
| Molecular dynamics simulation of folding of a short helical peptide with many charged residues CC Wei, MH Ho, WH Wang, YC Sun The Journal of Physical Chemistry B 109 (42), 19980-19986, 2005 | 13 | 2005 |
| Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based Electrocatalysts MH Ho, S Raugei, R Rousseau, M Dupuis, RM Bullock Journal of Chemical Theory and Computation 9 (8), 3505-3514, 2013 | 8 | 2013 |
| Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production MH Ho, S Chen, R Rousseau, M Dupuis, RM Bullock, S Raugei Applications of Molecular Modeling to Challenges in Clean Energy, 89-111, 2013 | 6 | 2013 |
