Author

Steven M. Maley

Observed names: Maley, Stephen, Maley, Steven M., S M Maley, Stephen Maley, Steven M Maley, Steven M. Maley

Observed institutions: Brigham Young University, University of Ottawa, Lakehead University, Wilfrid Laurier University

ORCID: 0000-0003-0007-7035

Observed ORCID: 0000-0003-0007-7035

OpenAlex ID: A5014809307

ARC–MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine Learning

2023 · Jake Burner, Jun Luo, et al. · Chemistry of Materials · 150

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

2020 · Steven M. Maley, Doo-Hyun Kwon, et al. · Chemical Science · 81

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Why Less Coordination Provides Higher Reactivity Chromium Phosphinoamidine Ethylene Trimerization Catalysts

2020 · Doo-Hyun Kwon, Steven M. Maley, et al. · ACS Catalysis · 33

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

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

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

2021 · Ryan Carlsen, Steven M. Maley, et al. · Organometallics · 14

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

2020 · Nick Rollins, Samuel L. Pugh, et al. · The Journal of Physical Chemistry A · 13

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Computational Evaluation and Design of Polyethylene Zirconocene Catalysts with Noncovalent Dispersion Interactions

2022 · Steven M. Maley, Robert Steagall, et al. · Organometallics · 11

Computational assessment and understanding of C6 product selectivity for chromium phosphinoamidine catalyzed ethylene trimerization

2022 · Nathan Morgan, Steven M. Maley, et al. · Journal of Organometallic Chemistry · 5

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The electron affinities of TCNE and TCNQ: the effect of silicon substitution

2018 · Steven M. Maley, Crystal Esau, et al. · Structural Chemistry · 5

Density functional theory and CCSD (T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts

2022 · Steven M. Maley, Graham R. Lief, et al. · Journal of Computational Chemistry · 4

ab initio REPEAT Charge MOF Database (ARC-MOF)

2022 · Burner, Jake, Luo, Jun, et al. · Zenodo (CERN European Organization for Nuclear Research) · 2

Isothiirane: A Molecular Structure Dilemma Resolved

2018 · Steven M. Maley, Robert C. Mawhinney · Journal of Computational Chemistry · 2

Pyrazolylthiourea Ligands for Tunable Solid-State Photoluminescence and Quenching-Based Zinc(II) Sensing

2026 · Delara Joekar, Sarah A. Englehart, et al. · Crystal Growth & Design · 1

Synthesis of a quinoxaline dimer and trimer via Yamamoto coupling

2025 · Zachary W. Schroeder, Emily K. Small, et al. · Canadian Journal of Chemistry · 1

Descriptor-Dependent Metal–Ligand Covalency Across a Matched Mn–Cu Coordination Series

2026 · Adam Herrera, Dimarco Mikael, et al. · ChemRxiv

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Towards Atom-by-Atom Fabrication: Mechanosynthetic donation and abstraction

2026 · Blue, Brandon, Morin, Mathieu, et al. · arXiv (Cornell University)

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Atomically precise mechanosynthesis of carbon structures on hydrogenated Si(100) by inverted-mode STM

2026 · Cowie, Megan, Deimert, Chris, et al. · arXiv (Cornell University)

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Why Activation Free Energies Converge More Slowly Than Electronic Barriers: Basis set Sensitivity of Vibrational Thermochemistry at Transition States

2026 · Steven M Maley · ChemRxiv

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Quantifying Basis-Dependent Force Errors in KS-DFT Transition-State Modeling

2026 · Steven M Maley · ChemRxiv

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CCDC 2475402: Experimental Crystal Structure Determination