{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T23:18:29Z","timestamp":1788218309857,"version":"build-2803163510"},"reference-count":60,"publisher":"American Chemical Society (ACS)","issue":"33","license":[{"start":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T00:00:00Z","timestamp":1786579200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000165","name":"Division of Chemistry","doi-asserted-by":"publisher","award":["CHE-2154832"],"award-info":[{"award-number":["CHE-2154832"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100008887","name":"Eppley Foundation for Research","doi-asserted-by":"publisher","award":["NA"],"award-info":[{"award-number":["NA"]}],"id":[{"id":"10.13039\/100008887","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,8,25]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Tautomeric equilibria play an essential role in numerous chemical and biological reactions. Despite having structures that only differ by the position of one hydrogen atom, the chemical properties of prototropic tautomers can vary considerably, and consistently predicting their tautomer ratios remains an unsolved challenge. This project aims to determine the chemical and electronic structure factors that control the equilibrium ratio between the keto and enol forms of prototropic tautomers. We utilize computational quantum chemistry software to analyze the impact of substituent effects, intermolecular interactions, and solvent interactions (implicit and explicit) on the tautomerization ratio.<\/jats:p>","DOI":"10.1021\/acsomega.6c03902","type":"journal-article","created":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T20:02:23Z","timestamp":1786651343000},"page":"49682-49691","source":"Crossref","is-referenced-by-count":0,"title":["Linking Enol\u2013Keto\nTautomerization Ratios in\n\u03b2-Diketones to Their Physical Properties Using Computational\nQuantum Chemistry"],"prefix":"10.1021","volume":"11","author":[{"given":"Julia","family":"Gabriel","sequence":"first","affiliation":[{"name":"Rowan University , 201 Mullica Hill Road , , ,","place":["Glassboro, New Jersey, United States, 08028"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jesse","family":"Na","sequence":"additional","affiliation":[{"name":"Rowan University , 201 Mullica Hill Road , , ,","place":["Glassboro, New Jersey, United States, 08028"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Brian","family":"Guillermo","sequence":"additional","affiliation":[{"name":"Rowan University , 201 Mullica Hill Road , , ,","place":["Glassboro, New Jersey, United States, 08028"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6920-7996","authenticated-orcid":true,"given":"Lark J.","family":"Perez","sequence":"additional","affiliation":[{"name":"Rowan University , 201 Mullica Hill Road , , ,","place":["Glassboro, New Jersey, United States, 08028"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5531-976X","authenticated-orcid":true,"given":"Erik P.","family":"Hoy","sequence":"additional","affiliation":[{"name":"Rowan University , 201 Mullica Hill Road , , ,","place":["Glassboro, New Jersey, United States, 08028"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,13]]},"reference":[{"issue":"6","key":"2026083119113503200_cit1","doi-asserted-by":"publisher","first-page":"475","DOI":"10.1007\/s10822-010-9359-z","article-title":"Tautomerism in drug\ndiscovery","volume":"24","author":"Katritzky","year":"2010","journal-title":"J. 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Spectrosc."},{"key":"2026083119113503200_cit33","doi-asserted-by":"crossref","DOI":"10.1002\/9783527632220","volume-title":"Solvents and Solvent\nEffects in Organic Chemistry","author":"Reichardt","year":"2010"},{"issue":"6","key":"2026083119113503200_cit34","doi-asserted-by":"publisher","first-page":"1067","DOI":"10.1039\/P29930001067","article-title":"13C NMR spectroscopic\nstudy of the tautomeric equilibrium in p-phenyl substituted benzoylacetones","author":"Cravero","year":"1993","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"issue":"11","key":"2026083119113503200_cit35","doi-asserted-by":"publisher","first-page":"2105","DOI":"10.1021\/ja01065a003","article-title":"Keto-Enol Tautomerism\nin \u03b2-Dicarbonyls Studied\nby Nuclear Magnetic Resonance Spectroscopy.1 I. Proton Chemical Shifts\nand Equilibrium Constants of Pure Compounds","volume":"86","author":"Burdett","year":"1964","journal-title":"J. Am. Chem. 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