Scott Simpson

10PUBLICATIONS
16CO-AUTHORS
Knowledge representation and reasoningTheoretical quantum chemistryNonlinear optics and spectroscopyPolymerisation mechanismsRadiation and matter
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Publications (10)

|Sep 12, 2026
Revisiting a Common Cobalt Chloride Equilibrium Experiment with Generative Artificial Intelligence.

|Jun 22, 2026
Tools for Understanding Molecular Orbital Interactions of Molecules on SurfacesDensity Functional Theory Calculations of H2 Adsorbed on Cu(111) and Pd/Cu(111).

|Apr 29, 2026
A Comprehensive Benchmark Database of Per- and Polyfluoroalkyl Substance Properties from Quantum Mechanical Methods.

|Oct 31, 2025
On-Surface Photodissociation Control within Magic-Sized Nanoclusters by Halogen Bonding.

Daniel P Miller, Cord Bertram, Ishita Kemeny

|Sep 15, 2025
Experimental Determination of pK a for 10 PFAS, Mono‑, Di‑, and Trifluoroacetic Acid by 19F‑NMR.

Damalka Balasuryia, Aina Queral-Beltran, Tristan Vick

|May 19, 2025
Density Functional Theory Investigation of Simple N-Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface.

Scott M Simpson

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Frequent Collaborators

2 joint publications

Daniel P Miller

2 joint publications

Eva Zurek

2 joint publications

Carla Ng

2 joint publications

Diana S Aga