Ralph A Wheeler

7PUBLICATIONS
2CO-AUTHORS
Computational chemistryMetal organic frameworksTheory and design of materialsRadiation and matterReaction kinetics and dynamics
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Publications (7)

|Oct 14, 2025
Fixed node-diffusion Monte Carlo achieves chemical accuracy in predicting substituent effects on activation energies and reaction enthalpies for methyl radical addition to substituted olefins.

Timothy B Huber, Ralph A Wheeler

|Jun 24, 2025
Effect of anion size on the size of polar aggregates in imidazolium-based ionic liquids.

Emily E Dalbey, Johnathon J Sailor, Ralph A Wheeler

|Jan 09, 2025
Structure factor line shape model gives approximate nanoscale size of polar aggregates in pyrrolidinium-based ionic liquids.

Ralph A Wheeler, Emily E Dalbey

|Oct 28, 2024
Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions.

Timothy B Huber, Ralph A Wheeler

|Jul 15, 2024
Fixed-node diffusion Monte Carlo shows promise for modeling reaction thermochemistry of hydrocarbon-based radicals.

Timothy B Huber, Ralph A Wheeler

|Jan 24, 2019
Temperature Dependence of Static Structure Factor Peak Intensities for a Pyrrolidinium-Based Ionic Liquid.

Travis Mackoy, Nicholas A Mauro, Ralph A Wheeler

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Frequent Collaborators

3 joint publications

Timothy B Huber

1 joint publications

Travis Mackoy