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Journal of Computational Chemistry
|
December 25, 2018
Isothiirane: A Molecular Structure Dilemma Resolved
Steven M Maley, Robert C Mawhinney
Chemical Science
|
June 7, 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, et al.
Journal of Computational Chemistry
|
June 6, 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, et al.
Physical Chemistry Chemical Physics : PCCP
|
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, et al.
The Journal of Physical Chemistry. A
|
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, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
December 25, 2018
Isothiirane: A Molecular Structure Dilemma Resolved
Steven M Maley, Robert C Mawhinney
Chemical Science
|
June 7, 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, et al.
Journal of Computational Chemistry
|
June 6, 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, et al.
Physical Chemistry Chemical Physics : PCCP
|
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, et al.
The Journal of Physical Chemistry. A
|
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, et al.
Page
of 1