{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T10:46:45Z","timestamp":1782816405012,"version":"3.54.5"},"reference-count":98,"publisher":"American Chemical Society (ACS)","issue":"44","license":[{"start":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T00:00:00Z","timestamp":1761177600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000005","name":"U.S. Department of Defense","doi-asserted-by":"publisher","award":["W911QY2220006"],"award-info":[{"award-number":["W911QY2220006"]}],"id":[{"id":"10.13039\/100000005","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000148","name":"Division of Electrical, Communications and Cyber Systems","doi-asserted-by":"publisher","award":["ECCS-1542174"],"award-info":[{"award-number":["ECCS-1542174"]}],"id":[{"id":"10.13039\/100000148","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006808","name":"University of North Carolina","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100006808","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2025,11,6]]},"DOI":"10.1021\/acs.jpca.5c06202","type":"journal-article","created":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T20:16:40Z","timestamp":1761250600000},"page":"10202-10212","source":"Crossref","is-referenced-by-count":3,"title":["Energy Decomposition Analysis of the Activation of CO\n                    <sub>2<\/sub>\n                    by Frustrated Lewis Pairs"],"prefix":"10.1021","volume":"129","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2592-5977","authenticated-orcid":true,"given":"Manoj","family":"Wijesingha","sequence":"first","affiliation":[{"name":"Department of Nanoscience, Joint School of Nanoscience & Nanoengineering","place":["Greensboro, United States"]},{"name":"University of North Carolina at Greensboro","place":["Greensboro, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinru","family":"Peng","sequence":"additional","affiliation":[{"name":"Department of Nanoscience, Joint School of Nanoscience & Nanoengineering","place":["Greensboro, United States"]},{"name":"University of North Carolina at Greensboro","place":["Greensboro, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nathan","family":"Hoang","sequence":"additional","affiliation":[{"name":"Department of Nanoscience, Joint School of Nanoscience & Nanoengineering","place":["Greensboro, United States"]},{"name":"University of North Carolina at Greensboro","place":["Greensboro, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicholas","family":"Jamieson","sequence":"additional","affiliation":[{"name":"Department of Nanoscience, Joint School of Nanoscience & Nanoengineering","place":["Greensboro, United States"]},{"name":"University of North Carolina at Greensboro","place":["Greensboro, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sherine O.","family":"Obare","sequence":"additional","affiliation":[{"name":"Department of Nanoscience, Joint School of Nanoscience & Nanoengineering","place":["Greensboro, United States"]},{"name":"University of North Carolina at Greensboro","place":["Greensboro, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2994-7754","authenticated-orcid":true,"given":"Yirong","family":"Mo","sequence":"additional","affiliation":[{"name":"Department of Nanoscience, Joint School of Nanoscience & Nanoengineering","place":["Greensboro, United States"]},{"name":"University of North Carolina at Greensboro","place":["Greensboro, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,10,23]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/natrevmats.2016.64"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-019-0210-3"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1039\/D0TA07900F"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1002\/cey2.87"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/C2DT32525J"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/b819621d"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202005143"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1039\/D3SC03907B"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/b924586c"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1126\/science.1134230"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b06794"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaf7229"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200903708"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/C4GC01959H"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ar500375j"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2022.108150"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.catcom.2021.106385"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.5b01191"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b03843"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.5b00396"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201809634"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ja067961j"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.0c02012"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-19997-y"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201904568"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1039\/C9CC04374H"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202112233"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.poly.2020.114930"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/D0DT00276C"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201901088"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200705586"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200905484"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ja312387q"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c04787"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.6b00421"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ja402381d"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00816"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201901068"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201504171"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201501904"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.supflu.2017.07.029"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/C7RA13546G"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/C8CS00527C"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.jece.2018.08.065"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.0c07162"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/C6SC05607E"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1039\/D2NR02894H"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.7b00514"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200901636"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201201422"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC03072B"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c02134"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560100211"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1007\/BF02401406"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/1.447215"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(87)80143-4"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1063\/1.466432"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/jp073685z"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.3253797"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1063\/1.3159673"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ja401420w"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1080\/00268978800100171"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(02)00538-9"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/cr00031a008"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1080\/00268977900101601"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/jp003883p"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-014-1484-7"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1345"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1080\/00268979650026262"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-018-0060-4"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1452"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/ct800503d"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.4927575"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.4936830"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26003"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1039\/c0cp02206c"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.481185"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1063\/1.476742"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/jp0724065"},{"key":"ref80\/cit80","doi-asserted-by":"crossref","DOI":"10.1002\/9780470192597","volume-title":"A Chemist\u2019s Guide to Valence Bond Theory","author":"Shaik S. S.","year":"2007"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/cr100228r"},{"key":"ref82\/cit82","doi-asserted-by":"crossref","DOI":"10.1016\/S1380-7323(02)80003-6","volume-title":"Valence Bond Theory","volume":"10","author":"Cooper D.","year":"2002"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1080\/00268977000101561"},{"key":"ref84\/cit84","volume-title":"Gaussian 16, A.03","author":"Frisch M. J.","year":"2016"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141112"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1063\/1.449486"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.20"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1063\/1.2370993"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1063\/1.2126975"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/ja039778l"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201502926"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.7b04072"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1016\/j.apcatb.2021.120748"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b03217"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-29970-6"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2023.144291"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2022.108150"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c06202","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c06202","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,11,6]],"date-time":"2025-11-06T09:20:18Z","timestamp":1762420818000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.5c06202"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,10,23]]},"references-count":98,"journal-issue":{"issue":"44","published-print":{"date-parts":[[2025,11,6]]}},"alternative-id":["10.1021\/acs.jpca.5c06202"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.5c06202","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,10,23]]}}}