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Ming-Hsun Ho
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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
1442013
Proton Delivery and Removal in [Ni(PR2NR2)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
1342012
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
1162012
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
842014
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
762014
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
762013
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
722015
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
592010
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
392013
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
382015
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
362014
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
352013
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
342009
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
312012
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
282015
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
272009
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
182010
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
142005
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
82013
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
52013
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