{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,4]],"date-time":"2026-03-04T16:29:01Z","timestamp":1772641741691,"version":"3.50.1"},"reference-count":67,"publisher":"AIP Publishing","issue":"9","funder":[{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-SC0022222"],"award-info":[{"award-number":["DE-SC0022222"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,3,7]]},"abstract":"<jats:p>Understanding the dynamics of chemical reactions in solutions is vital, as their rates and kinetics are significantly affected by the solvent environment. Supercritical solvents offer extensive applications in chemical reactions by enabling the manipulation of the solution environment. In this study, we investigate the geminate recombination of iodine in a supercritical xenon solvent by using ReaxFF-based molecular dynamics simulations. Our findings reveal that the highest iodine recombination rate occurs near supercritical conditions, while lower-pressure conditions lead to reduced collision rates and unstable recombination, and higher-pressure conditions hinder iodine diffusion, resulting in a lower recombination rate. Our analysis shows that the xenon local density at the time of recombination is at least 2.5 times higher than the global density, confirming the presence of xenon clusters surrounding the Iodine atoms. This observation is further supported by coordination number analysis, which confirms an elevated xenon local density during recombination. In addition, the correlation between the total energy of xenon atoms within a cluster and recombined iodine atoms underscores the kinetic energy transfer process, validating the occurrence of geminate recombination. The excess kinetic energy from the recombining iodine atoms is transferred to the surrounding xenon atoms. Our examination of geminate recombination demonstrates that iodine atoms confined within xenon clusters\u2014whether through manual insertion of atoms or the fast dissociation of an iodine molecule within xenon clusters\u2014are more likely to recombine as primary geminate recombination. However, extending the iodine molecule dissociation time allows iodine atoms to diffuse out of the cluster, and the recombination to shift toward secondary geminate recombination.<\/jats:p>","DOI":"10.1063\/5.0302862","type":"journal-article","created":{"date-parts":[[2026,3,4]],"date-time":"2026-03-04T11:41:38Z","timestamp":1772624498000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["Dynamics of iodine geminate recombination in supercritical xenon solvent: Caging effect"],"prefix":"10.1063","volume":"164","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4319-2498","authenticated-orcid":false,"given":"M.","family":"Mirakhory","sequence":"first","affiliation":[{"name":"Department of Mechanical Engineering, Pennsylvania State University 1 , University Park, Pennsylvania 16802,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0362-8533","authenticated-orcid":false,"given":"A.","family":"Majumdar","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering, Stanford University 2 , Stanford, California 94305,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4158-7050","authenticated-orcid":false,"given":"M.","family":"Ihme","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering, Stanford University 2 , Stanford, California 94305,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3478-4945","authenticated-orcid":false,"given":"A. C. T.","family":"van Duin","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering, Pennsylvania State University 1 , University Park, Pennsylvania 16802,","place":["USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2026,3,4]]},"reference":[{"key":"2026030406413413500_c1","doi-asserted-by":"publisher","first-page":"107532","DOI":"10.1016\/j.cep.2019.107532","article-title":"Are supercritical fluids solvents for the future?","volume":"141","year":"2019","journal-title":"Chem. Eng. Process."},{"key":"2026030406413413500_c2","volume-title":"Supercritical Fluids: Fundamentals For Application","year":"1994"},{"issue":"6","key":"2026030406413413500_c3","doi-asserted-by":"publisher","first-page":"7124","DOI":"10.1021\/acsomega.8b00001","article-title":"Effect of supercritical CO2 as reaction medium for selective hydrogenation of acetophenone to 1-phenylethanol","volume":"3","year":"2018","journal-title":"ACS Omega"},{"issue":"7","key":"2026030406413413500_c4","doi-asserted-by":"publisher","first-page":"2940","DOI":"10.1073\/pnas.90.7.2940","article-title":"Biocatalytic synthesis of acrylates in supercritical fluids: Tuning enzyme activity by changing pressure","volume":"90","year":"1993","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"issue":"7","key":"2026030406413413500_c5","doi-asserted-by":"publisher","first-page":"1723","DOI":"10.1002\/aic.690410712","article-title":"Reactions at supercritical conditions: Applications and fundamentals","volume":"41","year":"1995","journal-title":"AIChE J."},{"issue":"12","key":"2026030406413413500_c6","doi-asserted-by":"publisher","first-page":"1007","DOI":"10.1016\/0141-0229(91)90124-s","article-title":"Should the high diffusivity of a supercritical fluid increase the rate of an enzyme-catalyzed reaction?","volume":"13","year":"1991","journal-title":"Enzyme Microb. Technol."},{"issue":"2","key":"2026030406413413500_c7","doi-asserted-by":"publisher","first-page":"433","DOI":"10.1021\/cr970035q","article-title":"Homogeneous organic reactions as mechanistic probes in supercritical fluids","volume":"99","year":"1999","journal-title":"Chem. Rev."},{"issue":"24","key":"2026030406413413500_c8","doi-asserted-by":"publisher","first-page":"5703","DOI":"10.1021\/ja002800f","article-title":"Enhanced cage effects in supercritical fluid solvents. The behavior of diffusive and geminate caged-pairs in supercritical carbon dioxide","volume":"123","year":"2001","journal-title":"J.\u00a0Am. Chem. Soc."},{"issue":"12","key":"2026030406413413500_c9","doi-asserted-by":"publisher","first-page":"5146","DOI":"10.1021\/j100191a072","article-title":"Free-radical reactions in supercritical ethane: A probe of supercritical fluid structure","volume":"96","year":"1992","journal-title":"J.\u00a0Phys. Chem."},{"issue":"1","key":"2026030406413413500_c10","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1021\/ie950272o","article-title":"Influence of local structural correlations on free-radical reactions in supercritical fluids: A hierarchical approach","volume":"35","year":"1996","journal-title":"Ind. Eng. Chem. Res."},{"issue":"1","key":"2026030406413413500_c11","doi-asserted-by":"publisher","first-page":"85","DOI":"10.1016\/0009-2614(74)80220-4","article-title":"Photolytic cage effect of iodine in gases at high pressures","volume":"24","year":"1974","journal-title":"Chem. Phys. Lett."},{"issue":"4","key":"2026030406413413500_c12","doi-asserted-by":"publisher","first-page":"1825","DOI":"10.1063\/1.444979","article-title":"The photolytic cage effect of iodine in gases and liquids","volume":"78","year":"1983","journal-title":"J.\u00a0Chem. Phys."},{"issue":"48","key":"2026030406413413500_c13","doi-asserted-by":"publisher","first-page":"18629","DOI":"10.1021\/jp962430a","article-title":"Solvation ultrafast dynamics of reactions. 11. Dissociation and caging dynamics in the gas-to-liquid transition region","volume":"100","year":"1996","journal-title":"J.\u00a0Phys. Chem."},{"issue":"48","key":"2026030406413413500_c14","doi-asserted-by":"publisher","first-page":"18650","DOI":"10.1021\/jp9624313","article-title":"Solvation ultrafast dynamics of reactions. 12. Probing along the reaction coordinate and dynamics in supercritical argon","volume":"100","year":"1996","journal-title":"J.\u00a0Phys. Chem."},{"issue":"13","key":"2026030406413413500_c15","doi-asserted-by":"publisher","first-page":"2687","DOI":"10.1021\/j150657a004","article-title":"Xenon as a supercritical solvent","volume":"88","year":"1984","journal-title":"J.\u00a0Phys. Chem."},{"key":"2026030406413413500_c16","unstructured":"K.\n            Radan\n           and B.\u017demva, Solvent capabilities of liquid and supercritical xenon, 2012, available online: https:\/\/api.semanticscholar.org\/CorpusID:14449499."},{"key":"2026030406413413500_c17","article-title":"Physical chemistry","volume-title":"Addison\u2013Wesley Series in Chemistry","year":"1971"},{"issue":"5828","key":"2026030406413413500_c18","doi-asserted-by":"publisher","first-page":"165","DOI":"10.1038\/293165a0","article-title":"Xenon as a solvent","volume":"293","year":"1981","journal-title":"Nature"},{"key":"2026030406413413500_c19","doi-asserted-by":"publisher","first-page":"3645","DOI":"10.1021\/ja00273a017","article-title":"Structure and thermal reactions of dihydrogen complexes: The IR characterization of M(CO)5(H2) (M = chromium, molybdenum, and tungsten) and cis-Cr(CO)4(H2)2 in liquid xenon solution and the formation of HD during exchange of hydrogen and deuterium","volume":"108","year":"1986","journal-title":"J.\u00a0Am. Chem. Soc."},{"issue":"17","key":"2026030406413413500_c20","doi-asserted-by":"publisher","first-page":"6841","DOI":"10.1021\/ja00199a054","article-title":"Liquid xenon: An effective inert solvent for carbon-hydrogen oxidative addition reactions","volume":"111","year":"1989","journal-title":"J.\u00a0Am. Chem. Soc."},{"issue":"1","key":"2026030406413413500_c21","doi-asserted-by":"publisher","first-page":"85","DOI":"10.1016\/0009-2614(82)83466-0","article-title":"Predissociation and geminate recombination kinetics of I2 in liquid xenon and CCl4","volume":"85","year":"1982","journal-title":"Chem. Phys. Lett."},{"issue":"10","key":"2026030406413413500_c22","doi-asserted-by":"publisher","first-page":"4033","DOI":"10.1063\/1.472277","article-title":"Nonadiabatic molecular dynamics simulation of photodissociation and geminate recombination of I2 liquid xenon","volume":"105","year":"1996","journal-title":"J.\u00a0Chem. Phys."},{"issue":"1\u20132","key":"2026030406413413500_c23","doi-asserted-by":"publisher","first-page":"37","DOI":"10.1016\/0301-0104(90)80129-l","article-title":"Ultrafast studies of chemical reactions in liquids: Validity of gas phase vibrational relaxation models and density dependence of bound electronic state lifetimes","volume":"149","year":"1990","journal-title":"Chem. Phys."},{"key":"2026030406413413500_c24","doi-asserted-by":"publisher","first-page":"120","DOI":"10.1039\/tf9343000120","article-title":"Some remarks about free radicals and the photochemistry of solutions","volume":"30","year":"1934","journal-title":"Trans. Faraday Soc."},{"issue":"8","key":"2026030406413413500_c25","doi-asserted-by":"publisher","first-page":"999","DOI":"10.1063\/1.1747898","article-title":"The recombination of iodine atoms in solution","volume":"18","year":"1950","journal-title":"J.\u00a0Chem. Phys."},{"issue":"1125","key":"2026030406413413500_c26","doi-asserted-by":"publisher","first-page":"152","DOI":"10.1098\/rspa.1953.0013","article-title":"The recombination of atoms I. Iodine atoms in the rare gases","volume":"216","year":"1953","journal-title":"Proc. R. Soc. London, Ser. A"},{"issue":"1","key":"2026030406413413500_c27","doi-asserted-by":"publisher","first-page":"174","DOI":"10.1016\/0009-2614(72)80484-6","article-title":"Recombination of iodine atoms in gases at high pressures","volume":"16","year":"1972","journal-title":"Chem. Phys. Lett."},{"issue":"1524","key":"2026030406413413500_c28","doi-asserted-by":"publisher","first-page":"81","DOI":"10.1098\/rspa.1970.0067","article-title":"Recombination of iodine atoms in dilute solutions of argon","volume":"316","year":"1970","journal-title":"Proc. R. Soc. London, Ser. A"},{"key":"2026030406413413500_c29","doi-asserted-by":"publisher","first-page":"311","DOI":"10.1146\/annurev.pc.23.100172.001523","article-title":"Gas kinetics","volume":"23","year":"1972","journal-title":"Annu. Rev. Phys. Chem."},{"issue":"3","key":"2026030406413413500_c30","doi-asserted-by":"publisher","first-page":"1335","DOI":"10.1063\/1.450843","article-title":"Geminate recombination and relaxation of molecular iodine","volume":"84","year":"1986","journal-title":"J.\u00a0Chem. Phys."},{"issue":"5","key":"2026030406413413500_c31","doi-asserted-by":"publisher","first-page":"2709","DOI":"10.1063\/1.453058","article-title":"Studies of chemical reactivity in the condensed phase. III. Direct measurement of predissociation and geminate recombination times for iodine in solution","volume":"87","year":"1987","journal-title":"J.\u00a0Chem. Phys."},{"issue":"2","key":"2026030406413413500_c32","doi-asserted-by":"publisher","first-page":"1481","DOI":"10.1063\/1.459162","article-title":"Level crossing in liquids involving intermolecular electronic to vibrational energy transfer","volume":"93","year":"1990","journal-title":"J.\u00a0Chem. Phys."},{"issue":"20","key":"2026030406413413500_c33","doi-asserted-by":"publisher","first-page":"3854","DOI":"10.1021\/jp990111o","article-title":"Femtosecond time-resolved dynamics of geminate and nongeminate recombination: Iodine enclosed in the nanocavities of a microporous SiO2 modification","volume":"103","year":"1999","journal-title":"J. Phys. Chem. A"},{"issue":"4","key":"2026030406413413500_c34","doi-asserted-by":"publisher","first-page":"2130","DOI":"10.1063\/1.444019","article-title":"Slow vibrational relaxation in picosecond iodine recombination in liquids","volume":"77","year":"1982","journal-title":"J.\u00a0Chem. Phys."},{"issue":"2","key":"2026030406413413500_c35","doi-asserted-by":"publisher","first-page":"201","DOI":"10.1016\/0009-2614(74)89117-7","article-title":"Picosecond studies of the cage effect and collision induced predissociation of iodine in liquids","volume":"25","year":"1974","journal-title":"Chem. Phys. Lett."},{"issue":"9","key":"2026030406413413500_c36","doi-asserted-by":"publisher","first-page":"951","DOI":"10.1103\/PhysRevLett.54.951","article-title":"Rapid solvent-induced recombination and slow energy relaxation in a simple chemical reaction: Picosecond studies of iodine photodissociation in CCl4","volume":"54","year":"1985","journal-title":"Phys. Rev. Lett."},{"issue":"4","key":"2026030406413413500_c37","doi-asserted-by":"publisher","first-page":"655","DOI":"10.1021\/j150648a005","article-title":"Experimental picosecond transient spectra for molecular iodine photodissociation in liquids","volume":"88","year":"1984","journal-title":"J.\u00a0Phys. Chem."},{"issue":"11","key":"2026030406413413500_c38","doi-asserted-by":"publisher","first-page":"5531","DOI":"10.1063\/1.446664","article-title":"Molecular dynamics of chemical reactions in solution: Experimental picosecond transient spectra for I2 photodissociation","volume":"80","year":"1984","journal-title":"J.\u00a0Chem. Phys."},{"issue":"6436","key":"2026030406413413500_c39","doi-asserted-by":"publisher","first-page":"427","DOI":"10.1038\/364427a0","article-title":"Femtosecond dynamics of dissociation and recombination in solvent cages","volume":"364","year":"1993","journal-title":"Nature"},{"issue":"29","key":"2026030406413413500_c40","doi-asserted-by":"publisher","first-page":"11309","DOI":"10.1021\/j100029a004","article-title":"Solvation ultrafast dynamics of reactions. 9. Femtosecond studies of dissociation and recombination of iodine in argon clusters","volume":"99","year":"1995","journal-title":"J.\u00a0Phys. Chem."},{"issue":"6","key":"2026030406413413500_c41","doi-asserted-by":"publisher","first-page":"1843","DOI":"10.1021\/ja00761a009","article-title":"Photolytic cage effect. Monte Carlo experiments","volume":"94","year":"1972","journal-title":"J.\u00a0Am. Chem. Soc."},{"issue":"1","key":"2026030406413413500_c42","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1080\/00268977700103001","article-title":"Molecular dynamics and chemical reactivity","volume":"33","year":"1977","journal-title":"Mol. Phys."},{"issue":"1","key":"2026030406413413500_c43","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1063\/1.438961","article-title":"Stochastic trajectory simulation of iodine recombination in liquids","volume":"72","year":"1980","journal-title":"J.\u00a0Chem. Phys."},{"issue":"12","key":"2026030406413413500_c44","doi-asserted-by":"publisher","first-page":"1787","DOI":"10.1051\/rphysap:0198700220120178700","article-title":"Theoretical studies of vibrational relaxation of iodine in low density liquid xenon","volume":"22","year":"1987","journal-title":"Rev. Phys. Appl."},{"issue":"1","key":"2026030406413413500_c45","doi-asserted-by":"publisher","first-page":"15011","DOI":"10.1038\/npjcompumats.2015.11","article-title":"The ReaxFF reactive force-field: Development, applications and future directions","volume":"2","year":"2016","journal-title":"npj Comput. Mater."},{"issue":"14","key":"2026030406413413500_c46","doi-asserted-by":"publisher","first-page":"1549","DOI":"10.1016\/j.nimb.2010.12.053","article-title":"Atomistic-scale simulations of chemical reactions: Bridging from quantum chemistry to engineering","volume":"269","year":"2011","journal-title":"Proc. R. Soc. London, Ser. B"},{"issue":"37","key":"2026030406413413500_c47","doi-asserted-by":"publisher","first-page":"14645","DOI":"10.1021\/jp802134x","article-title":"Development and application of a ReaxFF reactive force field for oxidative dehydrogenation on vanadium oxide catalysts","volume":"112","year":"2008","journal-title":"J.\u00a0Phys. Chem. C"},{"issue":"10","key":"2026030406413413500_c48","doi-asserted-by":"publisher","first-page":"5828","DOI":"10.1016\/j.ijhydene.2011.02.035","article-title":"Molecular dynamic simulation of aluminum\u2013water reactions using the ReaxFF reactive force field","volume":"36","year":"2011","journal-title":"Int. J. Hydrogen Energy"},{"issue":"5","key":"2026030406413413500_c49","doi-asserted-by":"publisher","first-page":"1040","DOI":"10.1021\/jp709896w","article-title":"ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation","volume":"112","year":"2008","journal-title":"J.\u00a0Phys. Chem. A"},{"issue":"19","key":"2026030406413413500_c50","doi-asserted-by":"publisher","first-page":"194309","DOI":"10.1063\/5.0260087","article-title":"Iodine recombination in xenon solvent: Clusters in the gas to liquid-like state transition","volume":"162","year":"2025","journal-title":"J.\u00a0Chem. Phys."},{"issue":"3","key":"2026030406413413500_c51","doi-asserted-by":"publisher","first-page":"287","DOI":"10.1002\/jcc.540020311","article-title":"AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions","volume":"2","year":"1981","journal-title":"J.\u00a0Comput. Chem."},{"issue":"10","key":"2026030406413413500_c52","doi-asserted-by":"publisher","first-page":"1545","DOI":"10.1002\/jcc.21287","article-title":"CHARMM: The biomolecular simulation program","volume":"30","year":"2009","journal-title":"J.\u00a0Comput. Chem."},{"issue":"16","key":"2026030406413413500_c53","doi-asserted-by":"publisher","first-page":"6538","DOI":"10.1021\/acs.jpcc.3c07242","article-title":"Development of the ReaxFF reactive force field for Li\/Mn\/O battery technology with application to design a self-healing cathode electrolyte interphase","volume":"128","year":"2024","journal-title":"J.\u00a0Phys. Chem. C"},{"issue":"3","key":"2026030406413413500_c54","doi-asserted-by":"publisher","first-page":"493","DOI":"10.1021\/jp046244d","article-title":"Development of the ReaxFF reactive force field for describing transition metal catalyzed reactions, with application to the initial stages of the catalytic formation of carbon nanotubes","volume":"109","year":"2005","journal-title":"J.\u00a0Phys. Chem. A"},{"issue":"41","key":"2026030406413413500_c55","doi-asserted-by":"publisher","first-page":"9396","DOI":"10.1021\/jp004368u","article-title":"ReaxFF: A reactive force field for hydrocarbons","volume":"105","year":"2001","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026030406413413500_c56","first-page":"399","volume-title":"The Complete Active Space Self-Consistent Field Method and its Applications In Electronic Structure Calculations","year":"1987"},{"issue":"15","key":"2026030406413413500_c57","doi-asserted-by":"publisher","first-page":"1787","DOI":"10.1002\/jcc.20495","article-title":"Semiempirical GGA-type density functional constructed with a long-range dispersion correction","volume":"27","year":"2006","journal-title":"J.\u00a0Comput. Chem."},{"issue":"9","key":"2026030406413413500_c58","doi-asserted-by":"publisher","first-page":"1057","DOI":"10.1039\/B515623H","article-title":"Accurate Coulomb-fitting basis sets for H to Rn","volume":"8","year":"2006","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"18","key":"2026030406413413500_c59","doi-asserted-by":"publisher","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","article-title":"Generalized gradient approximation made simple","volume":"77","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"2026030406413413500_c60","doi-asserted-by":"publisher","first-page":"1170424","DOI":"10.3389\/fnuen.2023.1170424","article-title":"A density functional theory analysis of the adsorption and surface chemistry of inorganic iodine species on graphitea","volume":"2","year":"2023","journal-title":"Front. Nucl. Eng."},{"issue":"19","key":"2026030406413413500_c61","doi-asserted-by":"publisher","first-page":"2315","DOI":"10.1080\/00268976.2017.1333644","article-title":"Thirty years of density functional theory in computational chemistry: An overview and extensive assessment of 200 density functionals","volume":"115","year":"2017","journal-title":"Mol. Phys."},{"issue":"4","key":"2026030406413413500_c62","doi-asserted-by":"publisher","first-page":"1910","DOI":"10.1063\/1.443164","article-title":"A full coupled-cluster singles and doubles model: The inclusion of disconnected triples","volume":"76","year":"1982","journal-title":"J.\u00a0Chem. Phys."},{"issue":"38","key":"2026030406413413500_c63","doi-asserted-by":"publisher","first-page":"9874","DOI":"10.1021\/acs.jpclett.5c02429","article-title":"Photochemistry and thermal chemistry in polymeric ceramic precursors","volume":"16","year":"2025","journal-title":"J.\u00a0Phys. Chem. Lett."},{"key":"2026030406413413500_c64","doi-asserted-by":"publisher","first-page":"121616","DOI":"10.1016\/j.fuel.2021.121616","article-title":"Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study","volume":"306","year":"2021","journal-title":"Fuel"},{"issue":"3","key":"2026030406413413500_c65","doi-asserted-by":"publisher","first-page":"36005","DOI":"10.1209\/0295-5075\/109\/36005","article-title":"A flexible polymer chain in a critical solvent: Coil or globule?","volume":"109","year":"2015","journal-title":"Europhys. Lett."},{"issue":"4","key":"2026030406413413500_c66","doi-asserted-by":"publisher","first-page":"043001","DOI":"10.1088\/1361-648X\/aa9f56","article-title":"Flory-type theories of polymer chains under different external stimuli","volume":"30","year":"2018","journal-title":"J.\u00a0Phys.: Condens. Matter"},{"issue":"11","key":"2026030406413413500_c67","doi-asserted-by":"publisher","first-page":"6687","DOI":"10.1063\/1.455341","article-title":"Studies of chemical reactivity in the condensed phase. IV. Density dependent molecular dynamics simulations of vibrational relaxation in simple liquids","volume":"89","year":"1988","journal-title":"J.\u00a0Chem. Phys."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0302862\/20927157\/094309_1_5.0302862.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0302862\/20927157\/094309_1_5.0302862.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,4]],"date-time":"2026-03-04T11:41:40Z","timestamp":1772624500000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/164\/9\/094309\/3382082\/Dynamics-of-iodine-geminate-recombination-in"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,3,4]]},"references-count":67,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2026,3,7]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0302862","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2026,3,7]]},"published":{"date-parts":[[2026,3,4]]},"article-number":"094309"}}