Steven M. Maley

发表

Isothiirane: A Molecular Structure Dilemma Resolved

Steven M. Maley, Robert C. Mawhinney, 2019, J. Comput. Chem..

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

Steven M. Maley, Ryan Carlsen, D. Ess, 2021, Physical chemistry chemical physics : PCCP.

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

Steven M. Maley, S. Bischof, D. Ess, 2020, Chemical science.

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

Steven M. Maley, Q. Yang, S. Bischof, 2022, Journal of computational chemistry.

Computational Assessment and Understanding of C6 Product Selectivity for Chromium Phosphinoamidine Catalyzed Ethylene Trimerization

Nathan T. Morgan, Steven M. Maley, S. Bischof, 2021, Journal of Organometallic Chemistry.

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

Steven M. Maley, S. Bischof, D. Ess, 2020, Chemical science.

Why Less Coordination Provides Higher Reactivity Chromium Phosphinoamidine Ethylene Trimerization Catalysts

Steven M. Maley, S. Bischof, D. Ess, 2020 .

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

Steven M. Maley, Q. Yang, S. Bischof, 2022, Organometallics.

Computational insights into the electronic structure of TCNDQ and TCNP: the effect of Si substitution

Steven M. Maley, R. C. Mawhinney, 2019, Structural Chemistry.

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

Steven M. Maley, Ryan Carlsen, D. Ess, 2021 .

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

Steven M. Maley, R. C. Mawhinney, Crystal Esau, 2018, Structural Chemistry.

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

Samuel L. Pugh, Steven M. Maley, Ryan Carlsen, 2020, The journal of physical chemistry. A.