{"id":48,"date":"2019-10-29T17:24:22","date_gmt":"2019-10-29T17:24:22","guid":{"rendered":"https:\/\/www.furman.edu\/academics\/chemistry\/?page_id=48"},"modified":"2022-07-19T20:28:29","modified_gmt":"2022-07-19T20:28:29","slug":"publications","status":"publish","type":"page","link":"https:\/\/www.furman.edu\/academics\/chemistry\/research\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"<div class=\"publication-list\"><ul id=\"ulChemistryPublication\">\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/636\">\n\t\n\tSmith, W. J., Glick, C. S., Shields, G.C. The Hydration of Trifluoroacetic Acid from 0 K to 298 K, <em>J. Phys. Chem. A<\/em> <strong>2026<\/strong>, <em>130<\/em> (4) 927-935. DOI: 10.1021\/acs.jpca.5c08151.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/635\">\n\t\n\tMcKnight, 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, <em>ACS Omega,<\/em> <strong>2025<\/strong>, <em>10<\/em> (48), 589000-58914. DOI: 10.1021\/acsomega.5c07656\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/633\">\n\t\n\tPetty, B. T.; Fowler, V. R.; Ryu, A.; Glick, C. S.; Rock, C. A.; Wang, Q.; Tschumper, G. S.; Shields, G. C. \u201cReliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries\u201d, <em>J. Phys. Chem. A<\/em> <strong>2025<\/strong>, <em>129<\/em> 9291-9302. DOI: 10.1021\/acs.jpca.5c04923.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/634\">\n\t\n\tShields, G. C.; Polk, W. F. Physical Chemistry Concepts Introduced into the Chemistry Curriculum using WebMO. In <em>Engaging Students in Physical Chemistry, vol. 2<\/em>; 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\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/630\">\n\t\n\tShields, G. C. \u201cResearch at Predominately Undergraduate Institutions Published Recently in The Journal of Physical Chemistry A, B, and C\u201d, <em>J. Phys. Chem. A<\/em>, <strong>2025<\/strong>, <em>129<\/em> (11), 2701\u20132704.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/632\">\n\t\n\tJarocha, L. E.; Streeter, J. E.; Weaver, S. I.; McHorse, A.; Lebedeva, N. V.; Dayton, P. A.; E. Forbes, M. D. \u201cStructure and Stability of Phospholipid-Based Microbubbles Studied Using a Spin Probe.\u201d <em>Langmuir<\/em>, <b>2025<\/b>, <em>41<\/em> (42), 28513-28520. DOI: 10.1021\/acs.langmuir.5c03669.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/626\">\n\t\n\tSledesky, 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\u201d, <em>Inorg. Chem. <\/em><strong>2025<\/strong>, <em>64<\/em>, 14977 - 14988.<\/p>\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/631\">\n\t\n\tStueber, C.T.; Hanks, T.W.; Dawson, P.L.; Northcutt, J.K.; Pennington, W.T.; Cochran, B. \u201cDevelopment of a Colorimetric Polydiacetylene, Solid-Substrate Sensor for SARS-CoV-2 Detection in Human Saliva.\u201d <em>Surfaces<\/em> <strong>2025<\/strong>, <em>8<\/em>, 79.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/629\">\n\t\n\tBready, C. J.; Sorescu, A. E.; Glick, C. S.; Shields, G. C. \u201cComputational Exploration of the Ability of the 2-Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes \u201c, <em>ACS Omega<\/em> <strong>2025<\/strong>, <em>10 (23), 24811-24831.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/623\">\n\t\n\tRichter, G.; Knepper, A.; Molino, P. J.; Hanks, T. W. \u201cChemically-triggered dopant release from surface modified polypyrrole films\u201d, <em>Surfaces<\/em>, <strong>2025<\/strong>, <em>8<\/em>, 23-35.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/625\">\n\t\n\tMcDarmont, S. L.; McComick, M. J.; Wagenknecht, P. S.; Duplooy, Lily E.; Pienkos, J. A.; McMillen, C. D. \u201cThe Synthesis and Crystallographic Characterization of Emissive Pt(II) and Au(I) Compounds Exploiting the 2-Ethynylpyrmidine Ligand. \u201c <em>Crystals<\/em>, <strong>2024<\/strong>, <em>14<\/em>, 587.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/624\">\n\t\n\tZimmerman, J. H.; Cahill, B. J.; Thomas, W. M.; McCarthy, J. S.; McMillen, C. D.; Wagenknecht, P. S. \u201cInvestigation of the Effect of the Trifluoropropynyl Ligand on Pt(N^C^N)X (X = Cl, C<sub>2<\/sub>CF<sub>3<\/sub>) Complexes.\u201d <em>Crystals<\/em>, <strong>2024<\/strong>, <em>14<\/em>, 678.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/628\">\n\t\n\tScott, C. E.; Juechter, L. A.; Rocha, J.; Jones, L. D.; Outten, B.; Aishman, T. D.; Ivers, A. R.; Shields, G. C. \u201cImpact of Intracellular Proteins on \u03bc-Opioid Receptor Structure and Ligand Binding\u201d, <em> J. Phys. Chem. B<\/em> <strong>2025<\/strong>, <em>129<\/em> (1), 71-87.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/621\">\n\t\n\tHariharan, 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\", <em>J. Phys. Chem. A,<\/em> <strong>2024,<\/strong>, <em>128<\/em> (21), 4268\u20134278.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/622\">\n\t\n\tBandara, 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. \u201cSynthesis and Characterization of New Organoammonium, Thiazolium, and Pyridinium Triiodide Salts: Crystal Structures, Polymorphism, and Thermal Stability\u201d <em>Crystals<\/em>, <strong>2024<\/strong>, <em>14<\/em> (12), 1020.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/627\">\n\t\n\tBreyfogle, M. L.; Castle, K.; Liu, X.; Shields, G.C.  \u201cSupporting STEM Success Through Prematriculation Undergraduate Research\u201d, <em>Scholarship and Practice of Undergraduate Research<\/em>, <strong>2024<\/strong>, <em>7<\/em> (4), 55-60.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/618\">\n\t\n\t<p>Wagenknecht, P. S. Ligand-to-metal charge-transfer states in emissive d<sup>0<\/sup> metallocenes: Design strategies for titanocene based photocatalysts. In <em>Photochemistry and Photophysics of Earth Abundant Metal Compounds<\/em>; Ford, P. C., van Eldik, R., Eds.; Advances in Inorganic Chemistry 83; Elsevier; Amsterdam, 2024.<\/p>\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/605\">\n\t\n\tLongsworth, 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\"  <em>Environ. Sci.: Atmos.<\/em> <strong>2023<\/strong>, 3, 1335-1351\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/612\">\n\t\n\tRosen, 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\", <em>PLoS One<\/em>, <strong>2023<\/strong>, <em>18, 6<\/em>, e0287449.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/604\">\n\t\n\tBall, 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. \u201cConducting research at primarily undergraduate institutions\u201d <em>Cell Rep. Phys. Sci.<\/em> <strong>(2023)<\/strong>, <em>4<\/em>, 1-6.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/615\">\n\t\n\tBarker, 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. <em>Inorg. Chem.<\/em> <strong>2023<\/strong>, <em>62<\/em>, 17870 - 17882.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/603\">\n\t\n\tElm, 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.\" <em>WIREs Comput. Mol. Sci.<\/em> <strong>(2023)<\/strong>, <em>e1662<\/em>.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/617\">\n\t\n\tLongsworth, 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\", <em>Environ. Sci. Atmos.<\/em> <strong>2023<\/strong>, <em>3<\/em>, 1585 \u2013 1600.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/616\">\n\t\n\tHarold, S. E. ; Warf, S. L. ; Shields, G. C. \u201cPrebiotic Dimer and Trimer Peptide Formation in Gas-Phase Atmospheric Nanoclusters of Water\u201d, <em>Phys. Chem. Chem. Phys.<\/em>, <strong>2023<\/strong>, <em>25<\/em>, 28517 \u2013 28532.\n\t\n<\/a><br>\n<\/li>\n<li style=\"padding:5px;\">\n<a target=\"_blank\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/609\">\n\t\n\tBreen, 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.\" <em>ChemBioChem<\/em>, <b>2023<\/b>, <em>24<\/em>, e202300439.\n\t\n<\/a><br>\n<\/li>\n<\/ul>\n<\/div>\n<p>&nbsp;<\/p>\n<h4><a class=\"button\" href=\"https:\/\/scholarexchange.furman.edu\/chm-citations\/\" target=\"_blank\" rel=\"noopener noreferrer\">View all publications &gt;&gt;<\/a><\/h4>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>&nbsp; View all publications &gt;&gt; &nbsp;<\/p>\n","protected":false},"author":4,"featured_media":41,"parent":43,"menu_order":1,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-48","page","type-page","status-publish","has-post-thumbnail","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/pages\/48","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/users\/4"}],"replies":[{"embeddable":true,"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/comments?post=48"}],"version-history":[{"count":0,"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/pages\/48\/revisions"}],"up":[{"embeddable":true,"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/pages\/43"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/media\/41"}],"wp:attachment":[{"href":"https:\/\/www.furman.edu\/academics\/chemistry\/wp-json\/wp\/v2\/media?parent=48"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}