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The Journal of Physical Chemistry. B|January 7, 2024
Exploring the Unusual Reactivity of the Hydrated Electron with CO2Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry. B|August 9, 2023
Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept StudyPauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry. B|June 22, 2023
Relation between the Hydrated Electron Solvation Structure and Its Partial Molar VolumePauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry Letters|September 22, 2022
Investigation of the Failure of Marcus Theory for Hydrated Electron ReactionsPauf Neupane, Ankita Katiyar, David M Bartels, et al.
The Journal of Physical Chemistry. B|July 30, 2025
Ab Initio Molecular Dynamics Study of the Reduction of Acetone by the Hydrated ElectronWilberth A Narvaez, Pauf Neupane, David M Bartels, et al.
Annual Review of Physical Chemistry|November 21, 2025
Reactivity of the Hydrated ElectronDavid M Bartels, Ward H Thompson
Physical Chemistry Chemical Physics : PCCP|June 29, 2021
Molecular dynamics study of wetting of alkanes on water: from high temperature to the supercooled region and the influence of second inflection points of interfacial tensionsPauf Neupane, Gerald Wilemski
Journal of Chemical Theory and Computation|May 20, 2026
Assessing the Limitations of Self-Interaction-Corrected Functionals for Describing the Hydrated ElectronWilberth A Narvaez, David M Bartels, Ward H Thompson
Biorxiv : the Preprint Server for Biology|June 4, 2026
Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR InhibitorsMohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, et al.
The Journal of Chemical Physics|July 23, 2004
Simulations of time-dependent fluorescence in nano-confined solventsWard H Thompson
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