{"id":"https://openalex.org/W2139354135","doi":"https://doi.org/10.1002/jcc.23986","title":"Structure and stability of noble gas bound compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br)","display_name":"Structure and stability of noble gas bound compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br)","publication_year":2015,"publication_date":"2015-07-01","ids":{"openalex":"https://openalex.org/W2139354135","doi":"https://doi.org/10.1002/jcc.23986","mag":"2139354135","pmid":"https://pubmed.ncbi.nlm.nih.gov/26132752"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.23986","doi":"https://doi.org/10.1002/jcc.23986","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.23986","pdf_url":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5071996028","display_name":"Sudip Pan","orcid":"https://orcid.org/0000-0002-0414-8366","observed_orcids":["https://orcid.org/0000-0002-0414-8366"]},"institutions":[{"id":"https://openalex.org/I145894827","display_name":"Indian Institute of Technology Kharagpur","ror":"https://ror.org/03w5sq511","country_code":"IN","type":"education","lineage":["https://openalex.org/I145894827"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sudip Pan","raw_affiliation_strings":["Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur Kharagpur West Bengal 721302 India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur Kharagpur West Bengal 721302 India","institution_ids":["https://openalex.org/I145894827"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113121827","display_name":"Diego V. Moreno","orcid":"https://orcid.org/0000-0001-6404-836X","observed_orcids":["https://orcid.org/0000-0001-6404-836X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Diego Moreno","raw_affiliation_strings":["Departamento de F\u00edsica Aplicada Centro de Investigaci\u00f3n y de Estudios Avanzados Unidad M\u00e9rida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex M\u00e9rida Yucatan 97310 M\u00e9xico"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica Aplicada Centro de Investigaci\u00f3n y de Estudios Avanzados Unidad M\u00e9rida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex M\u00e9rida Yucatan 97310 M\u00e9xico","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052572718","display_name":"Sreyan Ghosh","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I145894827","display_name":"Indian Institute of Technology Kharagpur","ror":"https://ror.org/03w5sq511","country_code":"IN","type":"education","lineage":["https://openalex.org/I145894827"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sreyan Ghosh","raw_affiliation_strings":["Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur Kharagpur West Bengal 721302 India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur Kharagpur West Bengal 721302 India","institution_ids":["https://openalex.org/I145894827"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069414175","display_name":"Pratim Kumar Chattaraj","orcid":"https://orcid.org/0000-0002-5650-7666","observed_orcids":["https://orcid.org/0000-0002-5650-7666"]},"institutions":[{"id":"https://openalex.org/I145894827","display_name":"Indian Institute of Technology Kharagpur","ror":"https://ror.org/03w5sq511","country_code":"IN","type":"education","lineage":["https://openalex.org/I145894827"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Pratim K. Chattaraj","raw_affiliation_strings":["Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur Kharagpur West Bengal 721302 India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Centre for Theoretical Studies Indian Institute of Technology Kharagpur Kharagpur West Bengal 721302 India","institution_ids":["https://openalex.org/I145894827"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5035678236","display_name":"Gabriel Merino","orcid":"https://orcid.org/0000-0003-1961-8321","observed_orcids":["https://orcid.org/0000-0003-1961-8321"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Gabriel Merino","raw_affiliation_strings":["Departamento de F\u00edsica Aplicada Centro de Investigaci\u00f3n y de Estudios Avanzados Unidad M\u00e9rida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex M\u00e9rida Yucatan 97310 M\u00e9xico"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica Aplicada Centro de Investigaci\u00f3n y de Estudios Avanzados Unidad M\u00e9rida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex M\u00e9rida Yucatan 97310 M\u00e9xico","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5035678236","https://openalex.org/A5069414175"],"corresponding_institution_ids":["https://openalex.org/I145894827"],"apc_list":{"value":4520,"currency":"USD","value_usd":4520},"apc_paid":null,"fwci":1.9448,"has_fulltext":false,"cited_by_count":32,"citation_normalized_percentile":{"value":0.85532582,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"37","issue":"2","first_page":"226","last_page":"236"},"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":0.524399995803833,"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":0.524399995803833,"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":0.35249999165534973,"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/T12646","display_name":"Inorganic Fluorides and Related Compounds","score":0.07349999994039536,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/dissociation-energy","display_name":"dissociation energy","score":0.890999972820282},{"id":"https://openalex.org/keywords/thermochemistry","display_name":"thermochemistry","score":0.6179999709129333},{"id":"https://openalex.org/keywords/nbo-analysis","display_name":"natural bond orbital analysis","score":0.8679999709129333},{"id":"https://openalex.org/keywords/energy-decomposition-analysis","display_name":"energy decomposition analysis","score":0.8960000276565552},{"id":"https://openalex.org/keywords/pi-back-bonding","display_name":"\u03c0-backbonding","score":0.9110000133514404},{"id":"https://openalex.org/keywords/electron-transfer","display_name":"electron transfer","score":0.7889999747276306},{"id":"https://openalex.org/keywords/covalent-bonding","display_name":"covalent bonding","score":0.6600000262260437}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7341450452804565},{"id":"https://openalex.org/C121530826","wikidata":"https://www.wikidata.org/wiki/Q19609","display_name":"Noble gas","level":2,"score":0.726401150226593},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.6284768581390381},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.6211574077606201},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.6012707352638245},{"id":"https://openalex.org/C62396407","wikidata":"https://www.wikidata.org/wiki/Q863696","display_name":"Bond-dissociation energy","level":3,"score":0.5779992938041687},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5032479166984558},{"id":"https://openalex.org/C198179714","wikidata":"https://www.wikidata.org/wiki/Q3075223","display_name":"Electron localization function","level":3,"score":0.4873986840248108},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3374446630477905},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.32053107023239136},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.2816752791404724},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.26037293672561646},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09950557351112366},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.06726762652397156},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.23986","doi":"https://doi.org/10.1002/jcc.23986","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.23986","pdf_url":null,"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:26132752","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26132752","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":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320719","display_name":"Department of Science and Technology, Ministry of Science and Technology, India","ror":"https://ror.org/0101xrq71"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":135,"referenced_works":["https://openalex.org/W215934621","https://openalex.org/W1485224901","https://openalex.org/W1609762492","https://openalex.org/W1665393863","https://openalex.org/W1686631511","https://openalex.org/W1911575506","https://openalex.org/W1964246415","https://openalex.org/W1964331915","https://openalex.org/W1964946784","https://openalex.org/W1965332069","https://openalex.org/W1968438687","https://openalex.org/W1969640788","https://openalex.org/W1972508601","https://openalex.org/W1975950140","https://openalex.org/W1977151504","https://openalex.org/W1980268937","https://openalex.org/W1984611403","https://openalex.org/W1984673518","https://openalex.org/W1985793943","https://openalex.org/W1987186654","https://openalex.org/W1987913796","https://openalex.org/W1988091937","https://openalex.org/W1989224265","https://openalex.org/W1991016308","https://openalex.org/W1991483066","https://openalex.org/W1991688817","https://openalex.org/W1992723173","https://openalex.org/W1993092409","https://openalex.org/W1999216630","https://openalex.org/W2006355809","https://openalex.org/W2008784020","https://openalex.org/W2010891163","https://openalex.org/W2011146064","https://openalex.org/W2012720925","https://openalex.org/W2015121006","https://openalex.org/W2015954692","https://openalex.org/W2017951783","https://openalex.org/W2019329086","https://openalex.org/W2021329301","https://openalex.org/W2022581844","https://openalex.org/W2022838544","https://openalex.org/W2022950330","https://openalex.org/W2023207000","https://openalex.org/W2023722285","https://openalex.org/W2025183577","https://openalex.org/W2025745757","https://openalex.org/W2026508358","https://openalex.org/W2026513298","https://openalex.org/W2029083068","https://openalex.org/W2029175718","https://openalex.org/W2029240684","https://openalex.org/W2030761307","https://openalex.org/W2031851920","https://openalex.org/W2031856796","https://openalex.org/W2033042996","https://openalex.org/W2033759399","https://openalex.org/W2036629733","https://openalex.org/W2037769993","https://openalex.org/W2038120714","https://openalex.org/W2040453266","https://openalex.org/W2041359055","https://openalex.org/W2042506700","https://openalex.org/W2042910952","https://openalex.org/W2042944554","https://openalex.org/W2043038764","https://openalex.org/W2043478447","https://openalex.org/W2044272714","https://openalex.org/W2044872285","https://openalex.org/W2044940178","https://openalex.org/W2045654812","https://openalex.org/W2047486285","https://openalex.org/W2048963003","https://openalex.org/W2049053327","https://openalex.org/W2049410424","https://openalex.org/W2050076732","https://openalex.org/W2051245001","https://openalex.org/W2052341247","https://openalex.org/W2057869699","https://openalex.org/W2059140588","https://openalex.org/W2059241296","https://openalex.org/W2060395367","https://openalex.org/W2061657373","https://openalex.org/W2064066275","https://openalex.org/W2066975750","https://openalex.org/W2067018034","https://openalex.org/W2069068272","https://openalex.org/W2074319777","https://openalex.org/W2075852005","https://openalex.org/W2076622383","https://openalex.org/W2077386898","https://openalex.org/W2079835704","https://openalex.org/W2086563760","https://openalex.org/W2088296771","https://openalex.org/W2089675462","https://openalex.org/W2090197488","https://openalex.org/W2091973812","https://openalex.org/W2092569187","https://openalex.org/W2095855398","https://openalex.org/W2101628250","https://openalex.org/W2101999819","https://openalex.org/W2102833015","https://openalex.org/W2107316264","https://openalex.org/W2108868100","https://openalex.org/W2111592470","https://openalex.org/W2119547517","https://openalex.org/W2121237359","https://openalex.org/W2130918438","https://openalex.org/W2132525235","https://openalex.org/W2148941593","https://openalex.org/W2149981330","https://openalex.org/W2150743550","https://openalex.org/W2160541426","https://openalex.org/W2162526783","https://openalex.org/W2163844500","https://openalex.org/W2312422622","https://openalex.org/W2318731268","https://openalex.org/W2323253485","https://openalex.org/W2324315119","https://openalex.org/W2325018632","https://openalex.org/W2327353827","https://openalex.org/W2327530295","https://openalex.org/W2327977903","https://openalex.org/W2338847425","https://openalex.org/W2949693509","https://openalex.org/W2950016663","https://openalex.org/W2950112287","https://openalex.org/W2950524062","https://openalex.org/W2952081415","https://openalex.org/W2952248360","https://openalex.org/W2952871119","https://openalex.org/W2952919621","https://openalex.org/W4240406016","https://openalex.org/W4241747448","https://openalex.org/W4246758732","https://openalex.org/W4388166534"],"related_works":["https://openalex.org/W4367369517","https://openalex.org/W2076622383","https://openalex.org/W3134752078","https://openalex.org/W802479194","https://openalex.org/W2519370477","https://openalex.org/W2898221553","https://openalex.org/W1975950140","https://openalex.org/W2006099212","https://openalex.org/W2216377034","https://openalex.org/W2483995858"],"abstract_inverted_index":{"It":[0],"has":[1],"been":[2],"analyzed":[3],"at":[4,82],"the":[5,41,54,69,87,113,117,130,134,137,153,156,170],"MP2/def2-QZVPPD":[6],"level":[7],"whether":[8],"EX3+":[9,48,121,161],"(E":[10,98,175,199,209],"=":[11,14,99,176,200,210],"C-Pb;":[12],"X":[13,141],"H,":[15],"F-Br)":[16],"can":[17,101],"bind":[18,103,184],"noble":[19,45,131],"gas":[20,46,132],"atoms.":[21],"Geometrical":[22],"and":[23,36,52,93,96,169,197,202,207],"electronic":[24],"structures,":[25],"dissociation":[26,110],"energy":[27,37],"values,":[28],"thermochemical":[29],"parameters,":[30],"natural":[31],"bond":[32],"order,":[33],"electron":[34,144],"density,":[35],"decomposition":[38],"analyses":[39],"highlight":[40],"possibility":[42],"of":[43,58,71,89,116,136,160,215],"such":[44],"bound":[47,73,194],"compounds.":[49],"Except":[50],"He":[51],"Ne,":[53],"other":[55],"heavier":[56],"congeners":[57],"this":[59],"family":[60],"make":[61],"quite":[62,187],"strong":[63],"bonds":[64,191,204],"with":[65,107,129],"E.":[66],"In":[67],"fact,":[68],"dissociations":[70],"Ar-Rn":[72,185,193],"analogues":[74],"turn":[75],"out":[76],"to":[77,147,152,166,183],"be":[78,148],"endergonic":[79],"in":[80,86,120,126,192,205],"nature":[81],"298":[83],"K,":[84],"except":[85],"cases":[88],"ArGe":[90],"Cl3+,":[91],"Ar/KrGeBr3+,":[92],"ArSnBr3+.":[94],"GeH3+":[95],"EF3+":[97,198],"Ge-Pb)":[100,201],"even":[102],"two":[104],"Ng":[105,157],"atoms":[106,186],"reasonably":[108],"high":[109],"energy.":[111],"As":[112],"pz":[114],"orbital":[115],"E":[118,143],"center":[119],"plays":[122],"a":[123],"crucial":[124],"role":[125],"its":[127],"binding":[128,158],"atoms,":[133],"effect":[135],"\u03c0":[138],"back-bonding":[139],"causing":[140],"\u2192":[142],"transfer":[145],"ought":[146],"properly":[149],"understood.":[150],"Due":[151],"larger":[154],"back-donation,":[155],"ability":[159],"gradually":[162],"decreases":[163],"along":[164],"F":[165],"Br.":[167],"EH2+":[168],"global":[171],"minimum":[172],"HE(+\u2026)":[173],"H2":[174],"Sn,":[177],"Pb)":[178],"complexes":[179],"are":[180,213],"also":[181],"able":[182],"effectively.":[188],"The":[189],"Ng\uf8ffE":[190],"CH3+,":[195],"GeH3+,":[196],"Xe/Rn\uf8ffE":[203],"NgECl3+":[206],"NgEBr3+":[208],"Ge,":[211],"Sn)":[212],"mainly":[214],"covalent":[216],"type.":[217]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":5},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":2}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
