Meagan Oakley, Ph.D.
Affiliations: | 2008-2013 | Chemistry | University of Prince Edward Island, Charlottetown, Prince Edward Island, Canada |
| 2014-2019 | Chemistry | University of Alberta, Edmonton, Alberta, Canada | |
| 2019-2020 | Chemistry | University of Minnesota, Twin Cities, Minneapolis, MN | |
| 2021-2022 | Chemistry | University of Manitoba, Winnipeg, Manitoba, Canada | |
| 2022- | Chemistry | University of Manchester (UK) |
Area:
Computational chemistryGoogle:
"Meagan Oakley"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Mariusz Klobukowski | grad student | 2014-2019 | University of Alberta (Chemistry Tree) |
| Nicholas F. Chilton | post-doc | 2022- | University of Manchester (Chemistry Tree) |
| Laura Gagliardi | post-doc | 2019-2020 | UMN (Chemistry Tree) |
| Georg Schreckenbach | post-doc | 2021-2022 | University of Manitoba (Chemistry Tree) |
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Publications
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| Birnoschi L, Oakley MS, McInnes EJL, et al. (2024) Relativistic Quantum Chemical Investigation of Actinide Covalency Measured by Electron Paramagnetic Resonance Spectroscopy. Journal of the American Chemical Society. 146: 14660-14671 |
| Nodaraki LE, Liu J, Ariciu AM, et al. (2024) Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy. Chemical Science. 15: 3003-3010 |
| Murillo J, Seed JA, Wooles AJ, et al. (2024) Carbene Complexes of Plutonium: Structure, Bonding, and Divergent Reactivity to Lanthanide Analogs. Journal of the American Chemical Society |
| Gransbury GK, Corner SC, Kragskow JGC, et al. (2023) AtomAccess: A Predictive Tool for Molecular Design and Its Application to the Targeted Synthesis of Dysprosium Single-Molecule Magnets. Journal of the American Chemical Society. 145: 22814-22825 |
| Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation |
| Ray D, Oakley MS, Sarkar A, et al. (2023) Theoretical Investigation of Single-Molecule-Magnet Behavior in Mononuclear Dysprosium and Californium Complexes. Inorganic Chemistry. 62: 1649-1658 |
| Sun B, Oakley MS, Yoshida K, et al. (2022) The effects of ring strain on cyclic tetraaryl[5]cumulenes. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Oakley MS, Gagliardi L, Truhlar DG. (2021) Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings. Molecules (Basel, Switzerland). 26 |
| Scott TR, Oakley MS, Hermes MR, et al. (2021) Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states. The Journal of Chemical Physics. 154: 074108 |
| Scott TR, Hermes MR, Sand AM, et al. (2020) Analytic gradients for state-averaged multiconfiguration pair-density functional theory. The Journal of Chemical Physics. 153: 014106 |