James Shee

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2014- Chemistry Columbia University, New York, NY 
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"James Shee"
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Parents

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Andrew B. Bocarsly research assistant 2011-2011 Princeton
Richard A. Friesner grad student 2014-2019 Columbia
David R. Reichman grad student 2014-2019 Columbia
Martin Head-Gordon post-doc 2019- UC Berkeley
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Publications

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Weber JL, Vuong H, Devlaminck PA, et al. (2022) A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation
Rudshteyn B, Weber JL, Coskun D, et al. (2022) Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals. Journal of Chemical Theory and Computation
Shee J, Loipersberger M, Rettig A, et al. (2021) Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost. The Journal of Physical Chemistry Letters. 12: 12084-12097
Shee J, Loipersberger M, Hait D, et al. (2021) Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition. The Journal of Chemical Physics. 154: 194109
Yoneda Y, Mora SJ, Shee J, et al. (2021) Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer. Journal of the American Chemical Society
Weber JL, Churchill EM, Jockusch S, et al. (2020) prediction of annihilators for triplet-triplet annihilation upconversion auxiliary-field quantum Monte Carlo. Chemical Science. 12: 1068-1079
Upadhyay S, Dumi A, Shee J, et al. (2020) The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions. The Journal of Chemical Physics. 153: 224118
Fallon KJ, Churchill EM, Sanders SN, et al. (2020) Molecular Engineering of Chromophores to Enable Triplet-Triplet Annihilation Upconversion. Journal of the American Chemical Society
Shee J, Head-Gordon M. (2020) Predicting excitation energies of twisted intramolecular charge-transfer states with time-dependent density functional theory: Comparison with experimental measurements in the gas-phase and solvents ranging from hexanes to acetonitrile. Journal of Chemical Theory and Computation
Kumar M, Shee J, Rudshteyn B, et al. (2020) Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction. Journal of the American Chemical Society
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