Scott M Simpson

St. Bonaventure University 
Surface Science, Molecular Modeling
"Scott Simpson"
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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
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
Vannest J, Rajagopal A, Cicchino ND, et al. (2014) Factors determining success of awake and asleep magnetic resonance imaging scans in nonsedated children. Neuropediatrics. 45: 370-7
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
Pritchard BP, Simpson S, Zurek E, et al. (2014) Computation of chemical shifts for paramagnetic molecules: A laboratory experiment for the undergraduate curriculum Journal of Chemical Education. 91: 1058-1063
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