{"id":"https://openalex.org/W7225412901","doi":"https://doi.org/10.1002/jcc.70546","title":"Carbyne\u2010Terminated Carbon\u2010Flanked Noble\u2010Gas Cations: Stability and Asymmetric C\u2013Ng\u2013C Bonding (NgHe\u2013Rn)","display_name":"Carbyne\u2010Terminated Carbon\u2010Flanked Noble\u2010Gas Cations: Stability and Asymmetric C\u2013Ng\u2013C Bonding (NgHe\u2013Rn)","publication_year":2026,"publication_date":"2026-11-06","ids":{"openalex":"https://openalex.org/W7225412901","doi":"https://doi.org/10.1002/jcc.70546","pmid":"https://pubmed.ncbi.nlm.nih.gov/42992603"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.70546","doi":"https://doi.org/10.1002/jcc.70546","is_oa":true,"landing_page_url":"https://doi.org/10.1002/jcc.70546","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.70546","source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.70546","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5081274967","display_name":"Leonardo Steyman Reyes Fern\u00e1ndez","orcid":"https://orcid.org/0000-0001-9459-8514","observed_orcids":["https://orcid.org/0000-0001-9459-8514"]},"institutions":[{"id":"https://openalex.org/I13897259","display_name":"Universidad Andr\u00e9s Bello","ror":"https://ror.org/01qq57711","country_code":"CL","type":"education","lineage":["https://openalex.org/I13897259"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Leonardo S. Reyes\u2010Fern\u00e1ndez","raw_affiliation_strings":["Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile"],"raw_orcid":"https://orcid.org/0000-0001-9459-8514","affiliations":[{"raw_affiliation_string":"Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile","institution_ids":["https://openalex.org/I13897259"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049006307","display_name":"Estefan\u00eda Flores","orcid":"https://orcid.org/0000-0001-7845-6735","observed_orcids":["https://orcid.org/0000-0001-7845-6735"]},"institutions":[{"id":"https://openalex.org/I13897259","display_name":"Universidad Andr\u00e9s Bello","ror":"https://ror.org/01qq57711","country_code":"CL","type":"education","lineage":["https://openalex.org/I13897259"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Esteban Flores\u2010Guti\u00e9rrez","raw_affiliation_strings":["Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile"],"raw_orcid":"https://orcid.org/0000-0001-7845-6735","affiliations":[{"raw_affiliation_string":"Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile","institution_ids":["https://openalex.org/I13897259"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5139170296","display_name":"Esteban Marambio","orcid":"https://orcid.org/0009-0004-8837-5831","observed_orcids":["https://orcid.org/0009-0004-8837-5831"]},"institutions":[{"id":"https://openalex.org/I13897259","display_name":"Universidad Andr\u00e9s Bello","ror":"https://ror.org/01qq57711","country_code":"CL","type":"education","lineage":["https://openalex.org/I13897259"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Esteban Marambio","raw_affiliation_strings":["Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile"],"raw_orcid":"https://orcid.org/0009-0004-8837-5831","affiliations":[{"raw_affiliation_string":"Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile","institution_ids":["https://openalex.org/I13897259"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010451832","display_name":"Jennifer Cuellar","orcid":"https://orcid.org/0000-0002-1778-6025","observed_orcids":["https://orcid.org/0000-0002-1778-6025"]},"institutions":[{"id":"https://openalex.org/I13897259","display_name":"Universidad Andr\u00e9s Bello","ror":"https://ror.org/01qq57711","country_code":"CL","type":"education","lineage":["https://openalex.org/I13897259"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Jennifer Cuellar","raw_affiliation_strings":["Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Doctorado en Fisicoqu\u00edmica Molecular, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile","institution_ids":["https://openalex.org/I13897259"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039293525","display_name":"Rodrigo B\u00e1ez\u2010Grez","orcid":"https://orcid.org/0000-0001-9303-1559","observed_orcids":["https://orcid.org/0000-0001-9303-1559"]},"institutions":[{"id":"https://openalex.org/I13897259","display_name":"Universidad Andr\u00e9s Bello","ror":"https://ror.org/01qq57711","country_code":"CL","type":"education","lineage":["https://openalex.org/I13897259"]}],"countries":["CL"],"is_corresponding":true,"raw_author_name":"Rodrigo B\u00e1ez\u2010Grez","raw_affiliation_strings":["Centro de Investigaci\u00f3n para el Dise\u00f1o de Materiales (CEDEM), Facultad de Ciencias Exactas, Departamento de Ciencias Qu\u00edmicas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile"],"raw_orcid":"https://orcid.org/0000-0001-9303-1559","affiliations":[{"raw_affiliation_string":"Centro de Investigaci\u00f3n para el Dise\u00f1o de Materiales (CEDEM), Facultad de Ciencias Exactas, Departamento de Ciencias Qu\u00edmicas Universidad Andr\u00e9s Bello  Santiago Regi\u00f3n Metropolitana Chile","institution_ids":["https://openalex.org/I13897259"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024875755","display_name":"Ricardo Pino\u2010Rios","orcid":"https://orcid.org/0000-0003-4756-1115","observed_orcids":["https://orcid.org/0000-0003-4756-1115"]},"institutions":[{"id":"https://openalex.org/I13897259","display_name":"Universidad Andr\u00e9s Bello","ror":"https://ror.org/01qq57711","country_code":"CL","type":"education","lineage":["https://openalex.org/I13897259"]}],"countries":["CL"],"is_corresponding":true,"raw_author_name":"Ricardo Pino\u2010Rios","raw_affiliation_strings":["Departamento de Ciencias Qu\u00edmicas, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello (UNAB)  Santiago Regi\u00f3n Metropolitana Chile"],"raw_orcid":"https://orcid.org/0000-0003-4756-1115","affiliations":[{"raw_affiliation_string":"Departamento de Ciencias Qu\u00edmicas, Facultad de Ciencias Exactas Universidad Andr\u00e9s Bello (UNAB)  Santiago Regi\u00f3n Metropolitana Chile","institution_ids":["https://openalex.org/I13897259"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5024875755","https://openalex.org/A5039293525"],"corresponding_institution_ids":["https://openalex.org/I13897259"],"apc_list":{"value":4520,"currency":"USD","value_usd":4520},"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"47","issue":"30","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.5199999809265137,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.5199999809265137,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.37790000438690186,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13253","display_name":"Photolysis and Reactive Intermediates","score":0.020600000396370888,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/noble-gas-complexes","display_name":"noble gas complexes","score":0.421999990940094},{"id":"https://openalex.org/keywords/thermodynamic-stability","display_name":"thermodynamic stability","score":0.652999997138977},{"id":"https://openalex.org/keywords/dissociation-pathways","display_name":"dissociation pathways","score":0.7149999737739563},{"id":"https://openalex.org/keywords/spin-states","display_name":"spin states","score":0.5609999895095825},{"id":"https://openalex.org/keywords/bond-order-analysis","display_name":"bond order analysis","score":0.4659999907016754},{"id":"https://openalex.org/keywords/neon","display_name":"NEON","score":0.9950000047683716},{"id":"https://openalex.org/keywords/argon","display_name":"argon","score":0.9869999885559082},{"id":"https://openalex.org/keywords/krypton","display_name":"krypton","score":0.9850000143051147},{"id":"https://openalex.org/keywords/xenon","display_name":"xenon","score":0.9980000257492065},{"id":"https://openalex.org/keywords/radon","display_name":"radon","score":0.8899999856948853}],"concepts":[{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.7371000051498413},{"id":"https://openalex.org/C29563950","wikidata":"https://www.wikidata.org/wiki/Q183410","display_name":"Thermochemistry","level":2,"score":0.7311000227928162},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7186999917030334},{"id":"https://openalex.org/C175689099","wikidata":"https://www.wikidata.org/wiki/Q908109","display_name":"Homolysis","level":3,"score":0.6771000027656555},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.4729999899864197},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4041999876499176},{"id":"https://openalex.org/C186633575","wikidata":"https://www.wikidata.org/wiki/Q845060","display_name":"Maxima and minima","level":2,"score":0.3910999894142151},{"id":"https://openalex.org/C62396407","wikidata":"https://www.wikidata.org/wiki/Q863696","display_name":"Bond-dissociation energy","level":3,"score":0.3878999948501587},{"id":"https://openalex.org/C191015642","wikidata":"https://www.wikidata.org/wiki/Q1132459","display_name":"Fragmentation (computing)","level":2,"score":0.3716000020503998},{"id":"https://openalex.org/C35325081","wikidata":"https://www.wikidata.org/wiki/Q7577416","display_name":"Spin states","level":2,"score":0.35519999265670776},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3450999855995178},{"id":"https://openalex.org/C33559828","wikidata":"https://www.wikidata.org/wiki/Q397226","display_name":"Coordination number","level":3,"score":0.328000009059906},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.30559998750686646},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.304500013589859},{"id":"https://openalex.org/C174084160","wikidata":"https://www.wikidata.org/wiki/Q908049","display_name":"Bound state","level":2,"score":0.30379998683929443},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.29739999771118164},{"id":"https://openalex.org/C76766466","wikidata":"https://www.wikidata.org/wiki/Q3036629","display_name":"Triplet state","level":3,"score":0.2955000102519989},{"id":"https://openalex.org/C147368240","wikidata":"https://www.wikidata.org/wiki/Q721706","display_name":"Standard enthalpy of formation","level":2,"score":0.29269999265670776},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.2906000018119812},{"id":"https://openalex.org/C84551667","wikidata":"https://www.wikidata.org/wiki/Q155640","display_name":"Potential energy","level":2,"score":0.2775000035762787},{"id":"https://openalex.org/C155860418","wikidata":"https://www.wikidata.org/wiki/Q863695","display_name":"Bond length","level":3,"score":0.27149999141693115},{"id":"https://openalex.org/C3020065929","wikidata":"https://www.wikidata.org/wiki/Q11379","display_name":"Total energy","level":3,"score":0.2603999972343445},{"id":"https://openalex.org/C186399102","wikidata":"https://www.wikidata.org/wiki/Q903517","display_name":"Chemical stability","level":2,"score":0.2581000030040741},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.2508000135421753}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.70546","doi":"https://doi.org/10.1002/jcc.70546","is_oa":true,"landing_page_url":"https://doi.org/10.1002/jcc.70546","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.70546","source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:42992603","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42992603","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computational chemistry","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1002/jcc.70546","doi":"https://doi.org/10.1002/jcc.70546","is_oa":true,"landing_page_url":"https://doi.org/10.1002/jcc.70546","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.70546","source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3080488041","display_name":"EXPLORING GROUND AND EXCITED STATE (ANTI)AROMATICITY PATTERNS IN POLYCYCLIC COMPOUNDS WITH POTENTIAL PHOTOVOLTAIC APPLICATIONS","funder_award_id":"1230571","funder_id":"https://openalex.org/F4320331146","funder_display_name":"Agencia Nacional de Investigaci\u00f3n y Desarrollo"},{"id":"https://openalex.org/G8519298873","display_name":null,"funder_award_id":"1230571","funder_id":"https://openalex.org/F4320319253","funder_display_name":"Agen\u021bia Na\u021bional\u0103 pentru Cercetare \u0219i Dezvoltare"}],"funders":[{"id":"https://openalex.org/F4320319253","display_name":"Agen\u021bia Na\u021bional\u0103 pentru Cercetare \u0219i Dezvoltare","ror":"https://ror.org/04kp6rb84"},{"id":"https://openalex.org/F4320331146","display_name":"Agencia Nacional de Investigaci\u00f3n y Desarrollo","ror":"https://ror.org/05btm5233"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225412901.pdf","grobid_xml":"https://content.openalex.org/works/W7225412901.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W28713913","https://openalex.org/W1564078702","https://openalex.org/W1963951169","https://openalex.org/W1968438687","https://openalex.org/W1987913796","https://openalex.org/W1988091937","https://openalex.org/W1993092409","https://openalex.org/W1993383767","https://openalex.org/W2000872531","https://openalex.org/W2004226047","https://openalex.org/W2023722285","https://openalex.org/W2040603620","https://openalex.org/W2042944554","https://openalex.org/W2044940178","https://openalex.org/W2075909617","https://openalex.org/W2092157292","https://openalex.org/W2121237359","https://openalex.org/W2125985071","https://openalex.org/W2132525235","https://openalex.org/W2163844500","https://openalex.org/W2320960204","https://openalex.org/W2326003486","https://openalex.org/W2810649628","https://openalex.org/W2914307278","https://openalex.org/W2955949443","https://openalex.org/W2969170956","https://openalex.org/W3023309692","https://openalex.org/W3034310241","https://openalex.org/W3039531656","https://openalex.org/W4211231377","https://openalex.org/W4220694746","https://openalex.org/W4233998925","https://openalex.org/W4387271489","https://openalex.org/W4392566908","https://openalex.org/W4413046390","https://openalex.org/W4415279770"],"related_works":["https://openalex.org/W2011485601","https://openalex.org/W2028793911","https://openalex.org/W2006171566","https://openalex.org/W2008968204","https://openalex.org/W2775628226","https://openalex.org/W2040949275","https://openalex.org/W3183144143","https://openalex.org/W4353093990","https://openalex.org/W1618297150","https://openalex.org/W2139354135"],"abstract_inverted_index":{"ABSTRACT":[0],"Carbyne\u2010terminated,":[1],"carbon\u2010flanked":[2],"noble\u2010gas":[3,277],"cations":[4],"CH":[5,54,59,75,80,109,114,123,128,145,170],"2":[6,55,60,76,81,110,115,124,129,146,171,231,262],"NgCR":[7,174],"+":[8,57,62,78,83,112,117,126,131,173,175],"(Ng":[9],"=":[10,13],"He\u2013Rn;":[11],"R":[12],"CH,":[14],"N,":[15],"P,":[16],"As)":[17],"serve":[18],"as":[19,63],"a":[20,48,266],"minimal":[21],"platform":[22],"for":[23,30,74,104,183,239,250],"carbon\u2010only":[24],"coordination":[25],"of":[26],"noble":[27],"gases":[28],"and":[29,37,58,79,113,127,143,158,189,206,223,236,246,265],"tuning":[31],"asymmetric":[32],"C\u2013Ng\u2013C":[33],"bonding.":[34],"Geometry":[35],"optimizations":[36],"thermochemistry":[38],"were":[39,72,91],"performed":[40,253],"at":[41,84,93,200,254],"the":[42,85,94,100,144,178,184,204,215,229,255,271,275],"MP2/def2\u2010TZVPP":[43],"level.":[44,96],"Most":[45],"systems":[46,208],"adopt":[47],"C":[49,64],"2v":[50],"Y\u2010shaped":[51,89],"structure,":[52],"with":[53,212],"HeCCH":[56],"NeCCH":[61,111],"s":[65],"exceptions.":[66],"In":[67],"contrast,":[68],"no":[69],"bound":[70,106,156],"minima":[71],"located":[73],"HeCN":[77],"NeCN":[82],"MP2":[86],"level,":[87,257],"although":[88,108],"structures":[90],"obtained":[92],"DFT":[95],"The":[97,155],"singlet":[98],"is":[99,234],"lowest":[101],"electronic":[102],"state":[103,148],"most":[105,179],"systems,":[107],"ArCP":[116],"have":[118],"lower\u2010energy":[119],"triplet":[120],"states,":[121],"while":[122,203],"ArCCH":[125],"XeCP":[130],"show":[132],"near\u2010degenerate":[133],"spin":[134,147],"states.":[135],"A":[136],"dissociation":[137,168,181,216],"network":[138],"considering":[139],"different":[140],"fragmentation":[141],"limits":[142],"was":[149],"used":[150],"to":[151,194,214,270],"assess":[152],"thermodynamic":[153],"stability.":[154],"He":[157],"Ne":[159],"complexes":[160],"are":[161,197,209],"destabilized":[162],"by":[163],"three\u2010body":[164],"homolytic":[165],"fragmentation,":[166],"whereas":[167,241],"into":[169],"(t)":[172],"generally":[176],"provides":[177],"relevant":[180],"limit":[182],"heavier":[185,276],"analogues.":[186],"Several":[187],"Ar":[188],"Kr":[190],"derivatives":[191],"remain":[192],"close":[193],"thermoneutrality":[195],"or":[196],"slightly":[198],"unstable":[199],"298":[201],"K,":[202],"Xe":[205],"Rn":[207],"thermodynamically":[210],"protected":[211],"respect":[213],"pathways":[217],"considered.":[218],"NPA,":[219],"Mayer":[220,248],"bond\u2010order,":[221],"QTAIM,":[222],"AdNDP":[224],"analyses":[225],"reveal":[226],"pronounced":[227],"asymmetry:":[228],"H":[230,261],"C\u2013Ng":[232,263],"contact":[233],"weak":[235],"becomes":[237],"closed\u2010shell":[238],"Ne,":[240],"Ng\u2013CR":[242,272],"exhibits":[243],"shared\u2010shell":[244],"character":[245],"near\u2010single\u2010bond":[247],"indices":[249],"Ar\u2013Rn.":[251],"EDA,":[252],"\u03c9B97X\u2013D3/def2\u2013TZVPP":[256],"indicates":[258],"predominantly":[259],"electrostatic":[260],"stabilization":[264],"larger":[267],"orbital":[268],"contribution":[269],"interaction":[273],"in":[274],"systems.":[278]},"counts_by_year":[],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2026-11-07T00:00:00"}