Scott M Simpson - Publications

St. Bonaventure University 
Surface Science, Molecular Modeling

23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Bennett JA, Miller DP, Simpson S, Rodriguez M, Zurek E. Electrochemical Atomic Force Microscopy and First Principles Calculations of Ferriprotoporphyrin Adsorption and Polymerization. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30157638 DOI: 10.1021/Acs.Langmuir.8B02059  0.72
2016 Simpson S, Hooper J, Miller DP, Kunkel DA, Enders A, Zurek E. 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. DOI: 10.1021/Acs.Jpcc.6B00360  0.72
2016 Murphy CJ, Miller DP, Simpson S, Baggett A, Pronschinske A, Liriano ML, Therrien AJ, Enders A, Liu SY, Zurek E, Sykes ECH. Charge-Transfer-Induced Magic Cluster Formation of Azaborine Heterocycles on Noble Metal Surfaces Journal of Physical Chemistry C. 120: 6020-6030. DOI: 10.1021/Acs.Jpcc.5B11970  0.72
2015 Miller DP, Simpson S, Tymi?ska N, Zurek E. Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure. The Journal of Chemical Physics. 142: 101924. PMID 25770513 DOI: 10.1063/1.4908267  0.72
2015 Kunkel DA, Hooper J, Simpson S, Miller DP, Routaboul L, Braunstein P, Doudin B, Beniwal S, Dowben P, Skomski R, Zurek E, Enders A. Self-assembly of strongly dipolar molecules on metal surfaces. The Journal of Chemical Physics. 142: 101921. PMID 25770510 DOI: 10.1063/1.4907943  0.72
2015 Simpson S, Gross MS, Olson JR, Zurek E, Aga DS. 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. PMID 25565148 DOI: 10.1021/Ac504107B  0.72
2015 Murphy CJ, Baggett AW, Miller DP, Simpson S, Marcinkowski MD, Mattera MFG, Pronschinske A, Therrien A, Liriano ML, Zurek E, Liu SY, Sykes ECH. 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. DOI: 10.1021/Jp5126427  0.72
2014 Vannest J, Rajagopal A, Cicchino ND, Franks-Henry J, Simpson SM, Lee G, Altaye M, Sroka C, Holland SK. Factors determining success of awake and asleep magnetic resonance imaging scans in nonsedated children. Neuropediatrics. 45: 370-7. PMID 25144603 DOI: 10.1055/S-0034-1387816  0.01
2014 Beniwal S, Chen S, Kunkel DA, Hooper J, Simpson S, Zurek E, Zeng XC, Enders A. Kagome-like lattice of π-π stacked 3-hydroxyphenalenone on Cu(111). Chemical Communications (Cambridge, England). 50: 8659-62. PMID 24957918 DOI: 10.1039/C4Cc03523B  0.72
2014 Pritchard BP, Simpson S, Zurek E, Autschbach J. Computation of chemical shifts for paramagnetic molecules: A laboratory experiment for the undergraduate curriculum Journal of Chemical Education. 91: 1058-1063. DOI: 10.1021/Ed400902C  0.72
2014 Hooper J, Kunkel DA, Simpson S, Beniwal S, Enders A, Zurek E. Chiral surface networks of 3-HPLN - A molecular analog of rounded triangle assembly Surface Science. 629: 65-74. DOI: 10.1016/J.Susc.2014.04.015  0.72
2013 Kunkel DA, Hooper J, Simpson S, Rojas GA, Ducharme S, Usher T, Zurek E, Enders A. Proton transfer in surface-stabilized chiral motifs of croconic acid Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.041402  0.72
2013 Kunkel DA, Hooper J, Simpson S, Beniwal S, Morrow KL, Smith DC, Cousins K, Ducharme S, Zurek E, Enders A. Rhodizonic acid on noble metals: Surface reactivity and coordination chemistry Journal of Physical Chemistry Letters. 4: 3413-3419. DOI: 10.1021/Jz4016124  0.72
2013 Simpson S, Kunkel DA, Hooper J, Nitz J, Dowben PA, Routaboul L, Braunstein P, Doudin B, Enders A, Zurek E. Coverage-dependent interactions at the organics-metal interface: Quinonoid zwitterions on Au(111) Journal of Physical Chemistry C. 117: 16406-16415. DOI: 10.1021/Jp403384H  0.72
2013 Simpson S, Van Fleet A, Zurek E. A computational investigation of a molecular switch Journal of Chemical Education. 90: 1528-1532. DOI: 10.1021/Ed400278X  0.72
2013 Simpson S, Autschbach J, Zurek E. Computational modeling of the optical rotation of amino acids: An 'in silico' experiment for physical chemistry Journal of Chemical Education. 90: 656-660. DOI: 10.1021/Ed300680G  0.72
2013 Simpson S, Lonie DC, Chen J, Zurek E. A computational experiment on single-walled carbon nanotubes Journal of Chemical Education. 90: 651-655. DOI: 10.1021/Ed3006067  0.72
2012 Kunkel DA, Simpson S, Nitz J, Rojas GA, Zurek E, Routaboul L, Doudin B, Braunstein P, Dowben PA, Enders A. Dipole driven bonding schemes of quinonoid zwitterions on surfaces. Chemical Communications (Cambridge, England). 48: 7143-5. PMID 22692103 DOI: 10.1039/C2Cc32462H  0.72
2012 Rojas G, Simpson S, Chen X, Kunkel DA, Nitz J, Xiao J, Dowben PA, Zurek E, Enders A. Surface state engineering of molecule-molecule interactions. Physical Chemistry Chemical Physics : Pccp. 14: 4971-6. PMID 22395096 DOI: 10.1039/C2Cp40254H  0.72
2012 Jewell AD, Simpson SM, Enders A, Zurek E, Sykes ECH. Magic electret clusters of 4-fluorostyrene on metal surfaces Journal of Physical Chemistry Letters. 3: 2069-2075. DOI: 10.1021/Jz3006783  0.72
2012 Simpson S, Zurek E. Substituted benzene derivatives on the Cu(111) surface Journal of Physical Chemistry C. 116: 12636-12643. DOI: 10.1021/Jp302682N  0.72
2008 Simpson SM. Photodamage. Dermatology Nursing / Dermatology Nurses' Association. 20: 238-9. PMID 18649713  0.01
1994 Simpson SM. Regulatory bodies and healthcare reform. Creative Nursing. 1: 11-2. PMID 7850628  0.01
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