Scott M Simpson
Affiliations: | St. Bonaventure University |
Area:
Surface Science, Molecular ModelingGoogle:
"Scott Simpson"Mean distance: (not calculated yet)
Children
Sign in to add trainee| Jonathan Antle | research assistant | St. Bonaventure University | |
| Alexandra M Izydorczak | research assistant | St. Bonaventure University | |
| Alyssa Victoria Bienvenu Santos | post-doc | 2023- | St Bonaventure University |
| Matthew D. Hanson | post-doc | 2022-2023 | St. Bonaventure University |
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Publications
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| Guardian MGE, Antle JP, Vexelman PA, et al. (2020) Resolving unknown isomers of emerging per- and polyfluoroalkyl substances (PFASs) in environmental samples using COSMO-RS-derived retention factor and mass fragmentation patterns. Journal of Hazardous Materials. 402: 123478 |
| Bennett JA, Miller DP, Simpson S, et al. (2018) Electrochemical Atomic Force Microscopy and First Principles Calculations of Ferriprotoporphyrin Adsorption and Polymerization. Langmuir : the Acs Journal of Surfaces and Colloids |
| Miller DP, Hooper J, Simpson S, et al. (2016) Electronic Structure of Iron Porphyrin Adsorbed to the Pt(111) Surface The Journal of Physical Chemistry C. 120: 29173-29181 |
| Simpson S, Hooper J, Miller DP, et al. (2016) Modulating Bond Lengths via Backdonation: A First-Principles Investigation of a Quinonoid Zwitterion Adsorbed to Coinage Metal Surfaces Journal of Physical Chemistry C. 120: 6633-6641 |
| Murphy CJ, Miller DP, Simpson S, et al. (2016) Charge-Transfer-Induced Magic Cluster Formation of Azaborine Heterocycles on Noble Metal Surfaces Journal of Physical Chemistry C. 120: 6020-6030 |
| Miller DP, Simpson S, Tymi?ska N, et al. (2015) Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure. The Journal of Chemical Physics. 142: 101924 |
| Kunkel DA, Hooper J, Simpson S, et al. (2015) Self-assembly of strongly dipolar molecules on metal surfaces. The Journal of Chemical Physics. 142: 101921 |
| Simpson S, Gross MS, Olson JR, et al. (2015) Identification of polybrominated diphenyl ether metabolites based on calculated boiling points from COSMO-RS, experimental retention times, and mass spectral fragmentation patterns. Analytical Chemistry. 87: 2299-305 |
| Murphy CJ, Baggett AW, Miller DP, et al. (2015) Effect of BN/CC Isosterism on the Thermodynamics of Surface and Bulk Binding: 1,2-Dihydro-1,2-azaborine vs Benzene Journal of Physical Chemistry C. 119: 14624-14631 |
| Beniwal S, Chen S, Kunkel DA, et al. (2014) Kagome-like lattice of π-π stacked 3-hydroxyphenalenone on Cu(111). Chemical Communications (Cambridge, England). 50: 8659-62 |