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Smith, W. J., Glick, C. S., Shields, G.C. The Hydration of Trifluoroacetic Acid from 0 K to 298 K, J. Phys. Chem. A 2026, 130 (4) 927-935. DOI: 10.1021/acs.jpca.5c08151.
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McKnight, K. A.; Reed, E. L.; Glick, C. S.; Juechter, L. A.; Scott, C. E.; Shields, G. C. Quantum Chemical Exploration of Fentanyl and Its Analogs: Conformational Landscapes and Energetics in Solution, ACS Omega, 2025, 10 (48), 589000-58914. DOI: 10.1021/acsomega.5c07656
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Petty, B. T.; Fowler, V. R.; Ryu, A.; Glick, C. S.; Rock, C. A.; Wang, Q.; Tschumper, G. S.; Shields, G. C. “Reliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries”, J. Phys. Chem. A 2025, 129 9291-9302. DOI: 10.1021/acs.jpca.5c04923.
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Shields, G. C.; Polk, W. F. Physical Chemistry Concepts Introduced into the Chemistry Curriculum using WebMO. In Engaging Students in Physical Chemistry, vol. 2; Gardner, D., Teague, C. M., Stokes, G., Thrall, E., McDonald, A. R., Eds.; ACS Symposium Series, Vol. 1515; American Chemical Society, 2025; pp. 371-429
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Shields, G. C. “Research at Predominately Undergraduate Institutions Published Recently in The Journal of Physical Chemistry A, B, and C”, J. Phys. Chem. A, 2025, 129 (11), 2701–2704.
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Jarocha, L. E.; Streeter, J. E.; Weaver, S. I.; McHorse, A.; Lebedeva, N. V.; Dayton, P. A.; E. Forbes, M. D. “Structure and Stability of Phospholipid-Based Microbubbles Studied Using a Spin Probe.” Langmuir, 2025, 41 (42), 28513-28520. DOI: 10.1021/acs.langmuir.5c03669.
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Sledesky, J. M.; Zimmerman, J. H.; London, H. C.; Lambert, E. C.; McMillen, C. D.; Barker, M.; Hanson, K.; Wagenknecht, P. S. "Xylylethynyl Titanocene with a Microsecond Emission Lifetime Photosensitizes Singlet-Oxygen Formation and Photon Upconversion”, Inorg. Chem. 2025, 64, 14977 - 14988.
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Stueber, C.T.; Hanks, T.W.; Dawson, P.L.; Northcutt, J.K.; Pennington, W.T.; Cochran, B. “Development of a Colorimetric Polydiacetylene, Solid-Substrate Sensor for SARS-CoV-2 Detection in Human Saliva.” Surfaces 2025, 8, 79.
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Bready, C. J.; Sorescu, A. E.; Glick, C. S.; Shields, G. C. “Computational Exploration of the Ability of the 2-Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes “, ACS Omega 2025, 10 (23), 24811-24831.
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Richter, G.; Knepper, A.; Molino, P. J.; Hanks, T. W. “Chemically-triggered dopant release from surface modified polypyrrole films”, Surfaces, 2025, 8, 23-35.
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McDarmont, S. L.; McComick, M. J.; Wagenknecht, P. S.; Duplooy, Lily E.; Pienkos, J. A.; McMillen, C. D. “The Synthesis and Crystallographic Characterization of Emissive Pt(II) and Au(I) Compounds Exploiting the 2-Ethynylpyrmidine Ligand. “ Crystals, 2024, 14, 587.
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Zimmerman, J. H.; Cahill, B. J.; Thomas, W. M.; McCarthy, J. S.; McMillen, C. D.; Wagenknecht, P. S. “Investigation of the Effect of the Trifluoropropynyl Ligand on Pt(N^C^N)X (X = Cl, C2CF3) Complexes.” Crystals, 2024, 14, 678.
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Scott, C. E.; Juechter, L. A.; Rocha, J.; Jones, L. D.; Outten, B.; Aishman, T. D.; Ivers, A. R.; Shields, G. C. “Impact of Intracellular Proteins on μ-Opioid Receptor Structure and Ligand Binding”, J. Phys. Chem. B 2025, 129 (1), 71-87.
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Hariharan, A.; Bready, C.J.; Ajello, J.G; Black, S.H.; Shields, G.C.; and Johnson, C.J. "Stability and Structure of Potentially Atmospherically Relevant Glycine Ammonium Bisulfate Clusters", J. Phys. Chem. A, 2024,, 128 (21), 4268–4278.
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Bandara, M.; Hanks T. W.; Kobra, K.; Watts, S. R.; Grady, L.; Hudson, C.; Veas, C.; Sachdeva, R.; Barroso, J.; McMillen, C. D.; Pennington, W. T. “Synthesis and Characterization of New Organoammonium, Thiazolium, and Pyridinium Triiodide Salts: Crystal Structures, Polymorphism, and Thermal Stability” Crystals, 2024, 14 (12), 1020.
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Breyfogle, M. L.; Castle, K.; Liu, X.; Shields, G.C. “Supporting STEM Success Through Prematriculation Undergraduate Research”, Scholarship and Practice of Undergraduate Research, 2024, 7 (4), 55-60.
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Wagenknecht, P. S. Ligand-to-metal charge-transfer states in emissive d0 metallocenes: Design strategies for titanocene based photocatalysts. In Photochemistry and Photophysics of Earth Abundant Metal Compounds; Ford, P. C., van Eldik, R., Eds.; Advances in Inorganic Chemistry 83; Elsevier; Amsterdam, 2024.
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Longsworth, O.M.; Bready, C.J.; Shields, G.C. "The Driving Effects of Common Atmospheric Molecules for Formation of Clusters: The Case of Sulfuric Acid, Formic Acid, Hydrochloric Acid, Ammonia, and Dimethylamine" Environ. Sci.: Atmos. 2023, 3, 1335-1351
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Rosen, E.P.; White, N.; Gilliland, W.M.; Gerona, R.R.; Gandhi, M.; Amico, K.R.; Mayer, K.H.; Gulick, R.M.; Kashuba, A.D.M. "Mass Spectrometry Imaging of Hair Identifies Daily Maraviroc Adherence in HPTN 069/ACTG A5305", PLoS One, 2023, 18, 6, e0287449.
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Ball, N.D.; Gomez, M.A.; Rempel, B.P.; Farkas, E.R.; Makal, T.E.; Shields, G.C.; Parish, C.A.; Tresc, B.W.; McGinitie, E.G.; Edwards, E. “Conducting research at primarily undergraduate institutions” Cell Rep. Phys. Sci. (2023), 4, 1-6.
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Barker, M.; Whittemore, T. J.; London, H. C.; Sledesky, J. M.; Harris, E. A.; Smith Pellizzeri, T. M.; McMillen, C. D.; Wagenknecht, P. S. Design Strategies for Luminescent Titanocenes: Improving the Photoluminescence and Photostability of Arylethynyltitanocenes. Inorg. Chem. 2023, 62, 17870 - 17882.
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Elm, J.; Ayoubi, D.; Engsvang, M.; Jensen, A.B.; Knattrup, Y.; Kubecka, J.; Bready, C.J.; Fowler, V.R.; Harold, S.E.; Longsworth, O.M; Shields, G.C. "Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review." WIREs Comput. Mol. Sci. (2023), e1662.
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Longsworth, O. M.; Bready, C. J.; Joines, M. S.; Shields, G. C. "The Driving Effects of Common Atmospheric Molecules for Formation of Prenucleation Clusters: The Case of Sulfuric Acid, Nitric Acid, Hydrochloric Acid, Ammonia, and Dimethyl Amine", Environ. Sci. Atmos. 2023, 3, 1585 – 1600.
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Harold, S. E. ; Warf, S. L. ; Shields, G. C. “Prebiotic Dimer and Trimer Peptide Formation in Gas-Phase Atmospheric Nanoclusters of Water”, Phys. Chem. Chem. Phys., 2023, 25, 28517 – 28532.
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Breen, M. E.; Joy, S. T.; Baruti, O. J.; Beyersdorf, M. S.; Henley, M. J.; DeSalle, S. N.; Ycas, P. D.; Croskey, A.; Cierpicki, T.; Pomerantz, W. C. K.; Mapp, A. K. "Garcinolic Acid Distinguishes Between GACKIX Domains and Modulates Interaction Networks." ChemBioChem, 2023, 24, e202300439.
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