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Journal of Chemical Theory and Computation|September 9, 2024
Partial to Total Generation of 3D Transition-Metal ComplexesHongni Jin, Kenneth M MerzThe Journal of Physical Chemistry. B|May 19, 2007
The hydrolysis of amides and the proficiency of amidohydrolases. The burden borne by kwGuillermina Estiu, Kenneth M MerzJournal of Chemical Information and Modeling|February 26, 2016
MCPB.py: A Python Based Metal Center Parameter BuilderPengfei Li, Kenneth M MerzJournal of Chemical Information and Modeling|July 8, 2025
State Ensemble Energy Recognition (SEER): A Hybrid Gas-Phase Molecular Charge State PredictorMithony Keng, Kenneth M MerzJournal of Chemical Theory and Computation|April 14, 2022
Systematic Evaluation of Ion Diffusion and Water ExchangeZhen Li, Kenneth M MerzJournal of the American Chemical Society|September 24, 2004
Enzymatic catalysis of urea decomposition: elimination or hydrolysis?Guillermina Estiu, Kenneth M MerzJournal of Chemical Theory and Computation|November 21, 2015
Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence RelationsYipu Miao, Kenneth M MerzJournal of Chemical Theory and Computation|December 3, 2015
A Fast QM/MM (Quantum Mechanical/Molecular Mechanical) Approach to Calculate Nuclear Magnetic Resonance Chemical Shifts for MacromoleculesBing Wang, Kenneth M MerzJournal of Chemical Theory and Computation|November 18, 2015
Acceleration of High Angular Momentum Electron Repulsion Integrals and Integral Derivatives on Graphics Processing UnitsYipu Miao, Kenneth M MerzThe Journal of Physical Chemistry. B|August 7, 2007
Competitive hydrolytic and elimination mechanisms in the urease catalyzed decomposition of ureaGuillermina Estiu, Kenneth M MerzPageof 50