George C Shields

25PUBLICATIONS
27CO-AUTHORS
Condensed matter modelling and density functional theoryAtmospheric aerosolsToxicology (incl. clinical toxicology)Theoretical quantum chemistryFree radical chemistry
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Publications (25)

|Apr 25, 2026
Probing Composition Effects on the Intrinsic Energetics of Proton Transfer in Binary (HCl)m(H2O)n Clusters.

|Jan 20, 2026
The Hydration of Trifluoroacetic Acid from 0 to 298 K.

Walker J Smith, Caroline S Glick, George C Shields

|Jan 08, 2026
Quantum Chemical Exploration of Fentanyl and Its Analogs: Conformational Landscapes and Energetics in Solution.

Kimberlyn A McKnight, E Liyah Reed, Caroline S Glick

|Sep 25, 2025
Reliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries.

Benjamin T Petty, Vance R Fowler, Audrey Ryu

|Jun 23, 2025
Computational Exploration of the Ability of the 2‑Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes.

Conor J Bready, Alexandra E Sorescu, Caroline S Glick

|Dec 19, 2024
Impact of Intracellular Proteins on μ-Opioid Receptor Structure and Ligand Binding.

Caitlin E Scott, Leah A Juechter, Josephine Rocha

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Frequent Collaborators

4 joint publications

Berhane Temelso

4 joint publications

Caroline S Glick

3 joint publications

Paul S Wagenknecht

3 joint publications

Conor J Bready