Steven M Maley

4PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryChemical and thermal processes in energy and combustionReaction kinetics and dynamicsReaction engineering (excl. nuclear reactions)
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Publications (4)

|Jun 06, 2022
Density functional theory and CCSD(T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts.

Steven M Maley, Graham R Lief, Richard M Buck

|Jun 07, 2021
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 Rollins

|May 21, 2021
Machine learning classification of disrotatory IRC and conrotatory non-IRC trajectory motion for cyclopropyl radical ring opening.

Steven M Maley, Jesse Melville, Spencer Yu

|May 16, 2020
Machine Learning Analysis of Direct Dynamics Trajectory Outcomes for Thermal Deazetization of 2,3-Diazabicyclo[2.2.1]hept-2-ene.

Nick Rollins, Samuel L Pugh, Steven M Maley

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Frequent Collaborators

4 joint publications

Daniel H Ess

2 joint publications

Matthew S Teynor

1 joint publications

Doo-Hyun Kwon

1 joint publications

Orson L Sydora