{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T17:40:38Z","timestamp":1790962838426,"version":"4.1.0"},"reference-count":89,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T00:00:00Z","timestamp":1767916800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T00:00:00Z","timestamp":1767916800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T00:00:00Z","timestamp":1767916800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100008326","name":"Ball State University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100008326","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE 1625543"],"award-info":[{"award-number":["CHE 1625543"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE-2404011"],"award-info":[{"award-number":["CHE-2404011"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["MRI-1726017"],"award-info":[{"award-number":["MRI-1726017"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2026,1,22]]},"DOI":"10.1021\/acs.jpca.5c07763","type":"journal-article","created":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T18:34:06Z","timestamp":1767983646000},"page":"650-660","source":"Crossref","is-referenced-by-count":5,"title":["Covalency of the Strong Br\u00b7\u00b7\u00b7N Halogen Bonds in Neutral and Ionic Complexes"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0009-0000-8700-8301","authenticated-orcid":true,"given":"Isaac","family":"Sarfo","sequence":"first","affiliation":[{"name":"Department of Chemistry","place":["Muncie, United States"]},{"name":"Ball State University","place":["Muncie, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3305-852X","authenticated-orcid":true,"given":"Matthias","family":"Zeller","sequence":"additional","affiliation":[{"name":"Department of Chemistry","place":["West Lafayette, United States"]},{"name":"Purdue University","place":["West Lafayette, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3172-8523","authenticated-orcid":true,"given":"Sergiy V.","family":"Rosokha","sequence":"additional","affiliation":[{"name":"Department of Chemistry","place":["Muncie, United States"]},{"name":"Ball State University","place":["Muncie, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,1,9]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202506525"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00484"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201500314"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1039\/c004189k"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.theochem.2010.01.022"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/open.201100015"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jp2109303"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201300577"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ct500422t"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP06613E"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP06959F"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ar0400995"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp00054k"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.1c03779"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/D3SC02238B"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.3c06093"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-17122-7"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ja511648d"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1039\/C4SC01746C"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.70163"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1039\/D5CP01820J"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c11449"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/D0CS00034E"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.3c00654"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1039\/C4CE01735H"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.22036\/pcr.2016.11619"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201800750"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/D1RA05695F"},{"key":"ref29\/cit29","volume-title":"The nature of the chemical bond","author":"Pauling l.","year":"1940"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ja01198a028"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.1748245"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1107\/S2052252517004262"},{"key":"ref32\/cit32a","doi-asserted-by":"publisher","DOI":"10.1002\/poc.3325"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.6b02358"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jo9812227"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1071\/CH13202"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.2c01162"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.3c02843"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ja00349a050"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.3891\/acta.chem.scand.44-0135"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1107\/S0108270192006164"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1039\/c1ce05447c"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.7b01651"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/hlca.202100080"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202408428"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/cg500983s"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202303643"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1039\/C8CC04629H"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201908875"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/jo00384a013"},{"key":"ref50\/cit50","volume-title":"Bruker Apex3 v2016.9-0","year":"2016"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1107\/S1600576714022985"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1107\/S0021889811043202"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1107\/S2053229614024218"},{"key":"ref54\/cit54","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J.\n                      Gaussian 09\n                      , Revision C.01; Gaussian, Inc.: Wallingford, CT, 2009."},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/cr9904009"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00032"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ct400818v"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/ct301064t"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/cr00005a013"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1002\/9783527664696.ch8","volume-title":"The Chemical Bond","author":"Popelier P. L. A.","year":"2014"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26983"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20494"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1039\/b102094n"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref68\/cit68","first-page":"1","volume-title":"Reviews in Computational Chemistry","author":"Bickelhaupt F. M.","year":"2000"},{"key":"ref69\/cit69","volume-title":"ADF 2025.1","author":"Baerends E. J."},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.1056"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1107\/S1600576719014092"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/ja01303a030"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1039\/c3dt50599e"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1039\/b801115j"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.2c00600"},{"key":"ref76\/cit76","doi-asserted-by":"crossref","DOI":"10.1002\/9783527610709","volume-title":"The quantum theory of atoms in molecules, from solid state to DNA and drug design","author":"Matta C. F.","year":"2007"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.1501133"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-012-1463-7"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201700224"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP05441D"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b05300"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202007814"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP00348E"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1039\/D3NJ02994H"},{"issue":"6","key":"ref85\/cit85","first-page":"1259","volume":"57","author":"Cremer D.","year":"1984","journal-title":"Croat. Chem. Acta"},{"key":"ref86\/cit86","doi-asserted-by":"crossref","first-page":"425","DOI":"10.1002\/9783527610709.ch16","volume-title":"The quantum theory of atoms in molecules","author":"Mata I.","year":"2007"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26072083"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201901001"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c07763","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c07763","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,22]],"date-time":"2026-01-22T09:14:05Z","timestamp":1769073245000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.5c07763"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,9]]},"references-count":89,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2026,1,22]]}},"alternative-id":["10.1021\/acs.jpca.5c07763"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.5c07763","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,9]]}}}