Publications by authors named "Scott M Simpson"

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On-Surface Photodissociation Control within Magic-Sized Nanoclusters by Halogen Bonding.
Daniel P Miller, Cord Bertram, Ishita Kemeny, Scott M Simpson, Eva Zurek

ACS Nano· November 2025

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Density Functional Theory Investigation of Simple N-Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface.
Scott M Simpson

ACS Omega· May 2025

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Building Chemical Intuition about Physicochemical Properties of C8-Per-/Polyfluoroalkyl Carboxylic Acids through Computational Means.
Jonathan P Antle, Michael A LaRock, Zackary Falls, Carla Ng, G Ekin Atilla-Gokcumen, Scott M Simpson

ACS ES T Eng· December 2023

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Geometric and Electronic Effects in the Binding Affinity of Imidazole-Based N-Heterocyclic Carbenes to Cu(100)- and Ag(100)-Based Pd and Pt Single-Atom Alloy Surfaces.
Matthew D Hanson, Scott M Simpson

ACS Omega· October 2023

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Resolving unknown isomers of emerging per- and polyfluoroalkyl substances (PFASs) in environmental samples using COSMO-RS-derived retention factor and mass fragmentation patterns.
Mary Grace E Guardian, Jonathan P Antle, Paul A Vexelman, Diana S Aga, Scott M Simpson

J Hazard Mater· January 2021

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Electrochemical Atomic Force Microscopy and First-Principles Calculations of Ferriprotoporphyrin Adsorption and Polymerization.
Jason A Bennett, Daniel P Miller, Scott M Simpson, Marcela Rodriguez, Eva Zurek

Langmuir· September 2018

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