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The Journal of Physical Chemistry Letters|May 18, 2026
Theoretical Prediction of the 2-Dimensional Electronic Spectrum of Different Simulation Models of the Hydrated ElectronWilliam R Borrelli, Benjamin J Schwartz
The Journal of Physical Chemistry Letters|December 26, 2025
The Solvation Entropy of Different Simulation Models of the Hydrated ElectronWilliam R Borrelli, Xiaoyan Liu, Benjamin J Schwartz
Journal of Chemical Theory and Computation|October 15, 2024
Evaluating the Chemical Reactivity of DFT-Simulated Liquid Water with Hydrated Electrons via the Dual DescriptorWilliam R Borrelli, Xiaoyan Liu, Benjamin J Schwartz
The Journal of Chemical Physics|March 19, 2025
How the choice of exchange-correlation functional affects DFT-based simulations of the hydrated electronWilliam R Borrelli, Xiaoyan Liu, Benjamin J Schwartz
Journal of Chemical Theory and Computation|February 23, 2026
Using Density-Corrected DFT to Understand Density-Driven and Functional-Dependent Errors in Ab Initio Simulations of the Hydrated ElectronWilliam R Borrelli, José L Guardado Sandoval, Benjamin J Schwartz
The Journal of Physical Chemistry Letters|January 19, 2024
Using Machine Learning to Understand the Causes of Quantum Decoherence in Solution-Phase Bond-Breaking ReactionsKenneth J Mei, William R Borrelli, Andy Vong, et al.
The Journal of Physical Chemistry. B|August 23, 2024
Simulating the Competitive Ion Pairing of Hydrated Electrons with Chaotropic CationsHannah Y Liu, Kenneth J Mei, William R Borrelli, et al.
The Journal of Chemical Physics|October 17, 2025
Potentials of mean force fail to describe chemical bond-breaking in solutionHannah Y Liu, Kenneth J Mei, William R Borrelli, et al.
The Journal of Physical Chemistry. B|February 29, 2024
Partial Molar Solvation Volume of the Hydrated Electron Simulated Via DFTWilliam R Borrelli, Kenneth J Mei, Sanghyun J Park, et al.
Journal of Chemical Theory and Computation|April 30, 2026
Ab Initio Insights into the Formation of Hydrated Dielectrons: Structure and Recombination DynamicsJosé L Guardado Sandoval, William R Borrelli, Kenneth J Mei, et al.
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