Steven M. Maley

Quantum-mechanical transition-state model combined with machine learning provides catalyst design features for selective Cr olefin oligomerization

Steven M. Maley, Doo‐Hyun Kwon, Nick E. Rollins et al. · Chemical Science · 2020 · 81 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +16

Why Less Coordination Provides Higher Reactivity Chromium Phosphinoamidine Ethylene Trimerization Catalysts

Doo‐Hyun Kwon, Steven M. Maley, Johnathan C. Stanley et al. · ACS Catalysis · 2020 · 34 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Machine Learning Analysis of Direct Dynamics Trajectory Outcomes for Thermal Deazetization of 2,3-Diazabicyclo[2.2.1]hept-2-ene

Nick E. Rollins, Samuel L. Pugh, Steven M. Maley et al. · The Journal of Physical Chemistry A · 2020 · 17 citations · Full text

Natural Sciences, Chemistry, Physics +15

Machine learning classification of disrotatory IRC and conrotatory non-IRC trajectory motion for cyclopropyl radical ring opening

Steven M. Maley, Jesse Melville, Spencer Yu et al. · Physical Chemistry Chemical Physics · 2021 · 15 citations

Computing, Computer Science, Feature Engineering +12

Timing and Structures of σ-Bond Metathesis C–H Activation Reactions from Quasiclassical Direct Dynamics Simulations

Ryan Carlsen, Steven M. Maley, Daniel H. Ess · Organometallics · 2021 · 13 citations

Natural Sciences, Chemistry, Physics +17