{"id":72,"date":"2026-05-12T17:08:39","date_gmt":"2026-05-12T17:08:39","guid":{"rendered":"https:\/\/scienceweb.clemson.edu\/talbot-group\/?page_id=72"},"modified":"2026-07-22T13:40:45","modified_gmt":"2026-07-22T13:40:45","slug":"publications","status":"publish","type":"page","link":"https:\/\/scienceweb.clemson.edu\/talbot-group\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"<div style=\"width: 80%;margin: 0 auto;text-align: left\">\n<h1 style=\"text-align: center\">Publications<\/h1>\n<p>&nbsp;<\/p>\n<h2 style=\"text-align: center\">While at Clemson<\/h2>\n<p>&nbsp;<\/p>\n<\/div>\n<ul>\n<li>Rai, R.; Casabianca, L. B.; <strong>Talbot, J.J.<\/strong>; &#8220;Structural Trends of Tryptophan Dimer: Hydrogen Bonding Versus \u03c0-stacking From an Energy Decomposition Analysis Perspective.&#8221; <a href=\"https:\/\/pubs.rsc.org\/cp\/article\/doi\/10.1039\/d6cp01521b\/1273282\/Structural-trends-of-tryptophan-dimer-hydrogen\">Phys. Chem. Chem. Phys.<\/a> <strong>28<\/strong>, 17492-17503 (2026).<\/li>\n<\/ul>\n<ul>\n<li><span style=\"font-size: 16px\">Lara, A. O.;<\/span><strong style=\"font-size: 16px\">Talbot, J.J.<\/strong><span style=\"font-size: 16px\">; Wang Z.; Head-Gordon M.; \u201cAn Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations.\u201d <\/span><a style=\"font-size: 16px\" href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jctc.5c01988\" target=\"_blank\" rel=\"noopener\">J. Chem. Theory Comput.<\/a> <strong style=\"font-size: 16px\">22<\/strong><span style=\"font-size: 16px\">, 7, 3327-3340 (2026).<\/span><\/li>\n<\/ul>\n<div style=\"width: 80%;margin: 0 auto;text-align: left\">\n<p>&nbsp;<\/p>\n<div style=\"height: 20px\"><\/div>\n<h2 style=\"text-align: center\">Prior to Clemson<\/h2>\n<p>&nbsp;<\/p>\n<\/div>\n<ul>\n<li><strong>Talbot, J.J.*<\/strong>; Cheshire, T.P.; Cotton, S.J.; Houle F.A.; Head-Gordon, M.; \u201cThe Role of Spin-Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes.\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jpca.4c04122\" target=\"_blank\" rel=\"noopener\">J. Phys. Chem. A<\/a> <strong>128<\/strong>, 7830\u20137832 (2024).<span style=\"font-size: 16px\">\u00a0<\/span><\/li>\n<\/ul>\n<ul>\n<li style=\"margin-bottom: 20px\">Chakraborty, R.; <strong>Talbot, J.J.<\/strong>; Shen, H.; Yabuuchi, Y.; Carsch, K. M.; Jiang, H.; Furukawa, H.; Long, J. R.; Head-Gordon, M.; \u201cQuantum Chemical Modeling of Hydrogen Binding in Metal\u2013Organic Frameworks: Validation, Insight, Predictions and Challenges.\u201d <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlehtml\/2024\/cp\/d3cp05540j\" target=\"_blank\" rel=\"noopener\">Phys. Chem. Chem. Phys.<\/a> <strong>26<\/strong>, 6490 (2024).<\/li>\n<li style=\"margin-bottom: 20px\">Yang, E.L.; <strong>Talbot, J.J.<\/strong>; Spencer, R.J.; Steele, R.P.; \u201cPitfalls in the n-Mode Representation of Vibrational Potentials.\u201d <a href=\"\/\/pubs.aip.org\/aip\/jcp\/article\/159\/20\/204104\/2923272\/Pitfalls-in-the-n-mode-representation-of\" target=\"_blank\" rel=\"noopener\"> J. Chem. Phys.<\/a> <strong>159<\/strong>, 204104 (2023).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.J.*<\/strong>; Arias-Martinez, J.E.; Cotton, S.J.; Head-Gordon, M.; \u201cFantastical Excited State Optimized Structures and Where to Find Them.\u201d <a href=\"https:\/\/pubs.aip.org\/aip\/jcp\/article\/159\/17\/171102\/2919292\/Fantastical-excited-state-optimized-structures-and\" target=\"_blank\" rel=\"noopener\">J. Chem. Phys. Commun.<\/a> <strong>159<\/strong>, 171102 (2023).<\/li>\n<li style=\"margin-bottom: 20px\">Yang, E.L.; Spencer, R.J.; Zhanserkeev, A.A.; <strong>Talbot, J.J.<\/strong>; Steele, R.P.; &#8220;Accelerating and Stabilizing the Convergence of Vibrational Self-Consistent Field Calculations via vDIIS&#8221; <a href=\"https:\/\/pubs.aip.org\/aip\/jcp\/article-abstract\/159\/8\/084103\/2907541\/Accelerating-and-stabilizing-the-convergence-of\" target=\"_blank\" rel=\"noopener\"> J. Chem. Phys. <\/a><strong>159<\/strong>, 084103 (2023).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.J.*<\/strong>; Chakraborty, R.; Shen, H.; Head-Gordon, M.; &#8220;A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.3c01397\" target=\"_blank\" rel=\"noopener\"> J. Phys. Chem. Lett. <\/a> <strong>14<\/strong>, 5432\u20135440 (2023).<\/li>\n<li style=\"margin-bottom: 20px\">Hoberg, C.; <strong>Talbot J.J.<\/strong>; Ockelmann, T.; DasMahanta, D.; Head-Gordon, M.; Havenith, M.; &#8220;Caught in the Act: Real-Time Observation of Solvent Response in Excited-State Proton Transfer&#8221; <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlehtml\/2023\/sc\/d2sc07126f\" target=\"_blank\" rel=\"noopener\"> Chem. Sci. <\/a> <strong>14<\/strong>, 4048\u20134058 (2023).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.J.*<\/strong>; Head-Gordon, M.; Cotton S.J.; &#8220;The Symmetric Quasi-Classical Model Using on-the-fly TDDFT within TDA&#8221; <a href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/00268976.2022.2153761\" target=\"_blank\" rel=\"noopener\"> Mol. Phys. <\/a> 7\u20138, e2153751 (2022).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.J.*<\/strong>; Head-Gordon, M.; Miller, W.H.; Cotton S.J.; \u201cDynamic Signatures of Electronically Nonadiabatic Coupling in Sodium Hydride.\u201d <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2022\/cp\/d1cp04090a\" target=\"_blank\" rel=\"noopener\"> Phys. Chem. Chem. Phys. <\/a> <strong>24<\/strong>, 4820\u20134831 (2022).<\/li>\n<li style=\"margin-bottom: 20px\">Zhanserkeev, A.A.; <strong>Talbot, J.J.<\/strong>; Steele, R.P.; &#8220;Adiabatic Molecular Orbital Tracking in ab initio Molecular Dynamics&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.1c00553\" target=\"_blank\" rel=\"noopener\"> J. Chem. Theory Comput. <\/a> <strong>17<\/strong>, 4675\u20134685 (2021).<\/li>\n<li style=\"margin-bottom: 20px\">Riera, M.*; <strong>Talbot, J.J.*<\/strong>; Steele, R.P.; Paesani, F.; &#8220;Infrared Signatures of Isomer Selectivity in Cs\u207a(H\u2082O)\u2083&#8221; <a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/5.0013101\" target=\"_blank\" rel=\"noopener\"> J. Chem. Phys.<\/a> <strong>154<\/strong>, 044306 (2020).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.J.*<\/strong>; Yang, N.*; Huang, M.*; et al.; &#8220;Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in Iodide-Water Complex&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.0c00853\" target=\"_blank\" rel=\"noopener\">J. Phys. Chem. A <\/a> <strong>124<\/strong>, 2991\u20133001 (2020).<\/li>\n<li style=\"margin-bottom: 20px\">Cheng, X.; <strong>Talbot, J.J.<\/strong>; Steele, R.P.; &#8220;Tuning Vibrational Mode Localization with Frequency Windowing&#8221; <a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/1.4963109\" target=\"_blank\" rel=\"noopener\"> J. Chem. Phys. <\/a> <strong>145<\/strong>, 124112 (2016).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.J.*<\/strong>; Cheng, X.; Herr, J.D.; Steele, R.P.; &#8220;Vibrational Signatures of Electronic Properties in Oxidized Water&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.6b07182\" target=\"_blank\" rel=\"noopener\"> J. Am. Chem. Soc. <\/a> <strong>138<\/strong>, 11936\u201311945 (2016).<\/li>\n<li style=\"margin-bottom: 20px\"><strong>Talbot, J.*<\/strong>; LeBohec, S.; Mishchenko, E.G.; &#8220;Suppression of Diffusion of Hydrogen Adatoms on Graphene&#8221; <a href=\"https:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.93.115402\" target=\"_blank\" rel=\"noopener\"> Phys. Rev. B <\/a> <strong>93<\/strong>, 115402 (2016).<\/li>\n<li style=\"margin-bottom: 20px\">Floris, S.D.*; <strong>Talbot, J.J.*<\/strong>; Wilkinson, M.J.; Herr, J.D.; Steele, R.P.; &#8220;Quantum Molecular Motion in Ion-Radical Complex&#8221; <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2016\/cp\/c6cp05299a\/unauth\" target=\"_blank\" rel=\"noopener\"> Phys. Chem. Chem. Phys. <\/a> <strong>18<\/strong>, 27450\u201327459 (2016).<\/li>\n<li style=\"margin-bottom: 20px\">Herr, J.D.; <strong>Talbot, J.<\/strong>; Steele, R.P.; &#8220;Structural Progression in Clusters of Ionized Water&#8221;<a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jp509698y\" target=\"_blank\" rel=\"noopener\"> J. Phys. Chem. A <\/a> <strong>119<\/strong>, 752\u2013766 (2015).<\/li>\n<li style=\"margin-bottom: 20px\">LeBohec, S.; <strong>Talbot, J.<\/strong>; Mishchenko, E.G.; &#8220;Attraction\u2013Repulsion Transition in Graphene Adatom Interactions&#8221; <a href=\"https:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.89.045433\" target=\"_blank\" rel=\"noopener\"> Phys. Rev. B <\/a><strong>89<\/strong>, 045433 (2014).<\/li>\n<\/ul>\n<p>* indicates first author contribution<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Publications &nbsp; While at Clemson &nbsp; Rai, R.; Casabianca, L. B.; Talbot, J.J.; &#8220;Structural Trends of Tryptophan Dimer: Hydrogen Bonding [&hellip;]<\/p>\n","protected":false},"author":65,"featured_media":0,"parent":0,"menu_order":1,"comment_status":"closed","ping_status":"closed","template":"","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"disabled","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"default","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"set","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"footnotes":""},"class_list":["post-72","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/pages\/72","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/users\/65"}],"replies":[{"embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/comments?post=72"}],"version-history":[{"count":0,"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/pages\/72\/revisions"}],"wp:attachment":[{"href":"https:\/\/scienceweb.clemson.edu\/talbot-group\/wp-json\/wp\/v2\/media?parent=72"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}