{"id":"https://openalex.org/W2904001561","doi":"https://doi.org/10.1002/jcc.25756","title":"Electronic and ligating properties of carbocyclic carbenes: A theoretical investigation","display_name":"Electronic and ligating properties of carbocyclic carbenes: A theoretical investigation","publication_year":2018,"publication_date":"2018-12-14","ids":{"openalex":"https://openalex.org/W2904001561","doi":"https://doi.org/10.1002/jcc.25756","mag":"2904001561","pmid":"https://pubmed.ncbi.nlm.nih.gov/30549074"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.25756","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.25756","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,"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"},"type":"article","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/A5020462993","display_name":"Shweta Bhagat","orcid":"https://orcid.org/0000-0002-8321-3145"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]},{"id":"https://openalex.org/I4210152674","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/0418yqg16","country_code":"IN","type":"government","lineage":["https://openalex.org/I4210152674"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Shweta Bhagat","raw_affiliation_strings":["Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India"],"raw_orcid":"https://orcid.org/0000-0002-8321-3145","affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","institution_ids":["https://openalex.org/I4210146715","https://openalex.org/I4210152674"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India","institution_ids":["https://openalex.org/I4210152674"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010723907","display_name":"Minhajul Arfeen","orcid":"https://orcid.org/0000-0002-7255-5254"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]},{"id":"https://openalex.org/I4210152674","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/0418yqg16","country_code":"IN","type":"government","lineage":["https://openalex.org/I4210152674"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Minhajul Arfeen","raw_affiliation_strings":["Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","institution_ids":["https://openalex.org/I4210146715","https://openalex.org/I4210152674"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India","institution_ids":["https://openalex.org/I4210152674"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022043650","display_name":"Gourav Das","orcid":null},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]},{"id":"https://openalex.org/I4210152674","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/0418yqg16","country_code":"IN","type":"government","lineage":["https://openalex.org/I4210152674"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Gourav Das","raw_affiliation_strings":["Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","institution_ids":["https://openalex.org/I4210146715","https://openalex.org/I4210152674"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India","institution_ids":["https://openalex.org/I4210152674"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065218199","display_name":"Neha Patel","orcid":"https://orcid.org/0000-0002-6879-3073"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]},{"id":"https://openalex.org/I4210152674","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/0418yqg16","country_code":"IN","type":"government","lineage":["https://openalex.org/I4210152674"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Neha Patel","raw_affiliation_strings":["Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","institution_ids":["https://openalex.org/I4210146715","https://openalex.org/I4210152674"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India","institution_ids":["https://openalex.org/I4210152674"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038348983","display_name":"Prasad V. Bharatam","orcid":"https://orcid.org/0000-0002-7064-8561"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]},{"id":"https://openalex.org/I4210152674","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/0418yqg16","country_code":"IN","type":"government","lineage":["https://openalex.org/I4210152674"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Prasad V. Bharatam","raw_affiliation_strings":["Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry National Institute of Pharmaceutical Education and Research (NIPER)  S.A.S. Nagar, Mohali Punjab, 160062 India","institution_ids":["https://openalex.org/I4210146715","https://openalex.org/I4210152674"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, Punjab, 160062, India","institution_ids":["https://openalex.org/I4210152674"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5038348983"],"corresponding_institution_ids":["https://openalex.org/I4210146715","https://openalex.org/I4210152674"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.3134,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.51137924,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"40","issue":"5","first_page":"726","last_page":"733"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11790","display_name":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T11790","display_name":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T10548","display_name":"Catalytic Cross-Coupling Reactions","score":0.9914000034332275,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T11593","display_name":"Carbon dioxide utilization in catalysis","score":0.9732999801635742,"subfield":{"id":"https://openalex.org/subfields/1508","display_name":"Process Chemistry and Technology"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/nucleophile","display_name":"Nucleophile","score":0.9131597280502319},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.8175075054168701},{"id":"https://openalex.org/keywords/heteroatom","display_name":"Heteroatom","score":0.7595623731613159},{"id":"https://openalex.org/keywords/reactivity","display_name":"Reactivity (psychology)","score":0.7324182391166687},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.6489648818969727},{"id":"https://openalex.org/keywords/dimethylamine","display_name":"Dimethylamine","score":0.6104802489280701},{"id":"https://openalex.org/keywords/ring","display_name":"Ring (chemistry)","score":0.604598879814148},{"id":"https://openalex.org/keywords/singlet-state","display_name":"Singlet state","score":0.5952092409133911},{"id":"https://openalex.org/keywords/proton-affinity","display_name":"Proton affinity","score":0.5746938586235046},{"id":"https://openalex.org/keywords/ring-size","display_name":"Ring size","score":0.5439685583114624},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.34168460965156555},{"id":"https://openalex.org/keywords/medicinal-chemistry","display_name":"Medicinal chemistry","score":0.3274250626564026},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.26649540662765503}],"concepts":[{"id":"https://openalex.org/C178907741","wikidata":"https://www.wikidata.org/wiki/Q745930","display_name":"Nucleophile","level":3,"score":0.9131597280502319},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8175075054168701},{"id":"https://openalex.org/C20950531","wikidata":"https://www.wikidata.org/wiki/Q161940","display_name":"Heteroatom","level":3,"score":0.7595623731613159},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.7324182391166687},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.6489648818969727},{"id":"https://openalex.org/C2780825948","wikidata":"https://www.wikidata.org/wiki/Q408022","display_name":"Dimethylamine","level":2,"score":0.6104802489280701},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.604598879814148},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.5952092409133911},{"id":"https://openalex.org/C53323650","wikidata":"https://www.wikidata.org/wiki/Q1118362","display_name":"Proton affinity","level":4,"score":0.5746938586235046},{"id":"https://openalex.org/C2779025318","wikidata":"https://www.wikidata.org/wiki/Q3538775","display_name":"Ring size","level":3,"score":0.5439685583114624},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.34168460965156555},{"id":"https://openalex.org/C155647269","wikidata":"https://www.wikidata.org/wiki/Q243455","display_name":"Medicinal chemistry","level":1,"score":0.3274250626564026},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.26649540662765503},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.25756","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.25756","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,"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:30549074","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30549074","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,"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":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.4699999988079071}],"awards":[{"id":"https://openalex.org/G7954281995","display_name":null,"funder_award_id":"43395","funder_id":"https://openalex.org/F4320320767","funder_display_name":"University Grants Commission"}],"funders":[{"id":"https://openalex.org/F4320320719","display_name":"Department of Science and Technology, Ministry of Science and Technology, India","ror":"https://ror.org/0101xrq71"},{"id":"https://openalex.org/F4320320721","display_name":"Council of Scientific and Industrial Research, India","ror":"https://ror.org/021wm7p51"},{"id":"https://openalex.org/F4320320767","display_name":"University Grants Commission","ror":"https://ror.org/04p800546"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":105,"referenced_works":["https://openalex.org/W1524056630","https://openalex.org/W1560926455","https://openalex.org/W1750541293","https://openalex.org/W1966182479","https://openalex.org/W1967722576","https://openalex.org/W1970979049","https://openalex.org/W1982305998","https://openalex.org/W1982630035","https://openalex.org/W1984066605","https://openalex.org/W1985580249","https://openalex.org/W1988091937","https://openalex.org/W1988716453","https://openalex.org/W1990802203","https://openalex.org/W1999474388","https://openalex.org/W2001008217","https://openalex.org/W2002231897","https://openalex.org/W2003555872","https://openalex.org/W2008708918","https://openalex.org/W2010376000","https://openalex.org/W2011533124","https://openalex.org/W2021047961","https://openalex.org/W2021540665","https://openalex.org/W2022051870","https://openalex.org/W2029802041","https://openalex.org/W2032090680","https://openalex.org/W2032475079","https://openalex.org/W2037619595","https://openalex.org/W2038014655","https://openalex.org/W2038092103","https://openalex.org/W2038767330","https://openalex.org/W2041094909","https://openalex.org/W2044490585","https://openalex.org/W2044604555","https://openalex.org/W2045321870","https://openalex.org/W2054617813","https://openalex.org/W2058210956","https://openalex.org/W2061227309","https://openalex.org/W2062803588","https://openalex.org/W2063408297","https://openalex.org/W2064557308","https://openalex.org/W2066636403","https://openalex.org/W2067624849","https://openalex.org/W2068617439","https://openalex.org/W2070655638","https://openalex.org/W2074555557","https://openalex.org/W2076072283","https://openalex.org/W2076206439","https://openalex.org/W2078146328","https://openalex.org/W2078691809","https://openalex.org/W2079738670","https://openalex.org/W2085837863","https://openalex.org/W2087266904","https://openalex.org/W2091702998","https://openalex.org/W2092638350","https://openalex.org/W2093019088","https://openalex.org/W2093847845","https://openalex.org/W2103660943","https://openalex.org/W2107619799","https://openalex.org/W2108132042","https://openalex.org/W2112058508","https://openalex.org/W2113348154","https://openalex.org/W2116484714","https://openalex.org/W2121192230","https://openalex.org/W2121826018","https://openalex.org/W2122164029","https://openalex.org/W2126795015","https://openalex.org/W2127369669","https://openalex.org/W2127567840","https://openalex.org/W2129579634","https://openalex.org/W2132926263","https://openalex.org/W2142648091","https://openalex.org/W2145658993","https://openalex.org/W2151515896","https://openalex.org/W2153644398","https://openalex.org/W2154029669","https://openalex.org/W2157853748","https://openalex.org/W2161384163","https://openalex.org/W2163055780","https://openalex.org/W2164714240","https://openalex.org/W2169503446","https://openalex.org/W2170599459","https://openalex.org/W2187009992","https://openalex.org/W2201502112","https://openalex.org/W2272396629","https://openalex.org/W2303805078","https://openalex.org/W2321074284","https://openalex.org/W2321950334","https://openalex.org/W2322167476","https://openalex.org/W2322753228","https://openalex.org/W2323957446","https://openalex.org/W2328402730","https://openalex.org/W2331727781","https://openalex.org/W2470496080","https://openalex.org/W2505828625","https://openalex.org/W2526024808","https://openalex.org/W2560516343","https://openalex.org/W2593013245","https://openalex.org/W2793681917","https://openalex.org/W2885069862","https://openalex.org/W2956122686","https://openalex.org/W3138129103","https://openalex.org/W4211172071","https://openalex.org/W4231649355","https://openalex.org/W4233847032","https://openalex.org/W4247553169"],"related_works":["https://openalex.org/W2002749631","https://openalex.org/W1575852573","https://openalex.org/W2036956123","https://openalex.org/W1508875356","https://openalex.org/W2089099696","https://openalex.org/W3149043614","https://openalex.org/W4245184041","https://openalex.org/W1977105009","https://openalex.org/W2949214215","https://openalex.org/W2500338750"],"abstract_inverted_index":{"Carbocyclic":[0],"carbenes":[1,8,15],"(CCCs)":[2],"are":[3,10,47,56,71,110,144],"a":[4,27,129],"class":[5],"of":[6,19,60,76,79,128],"nucleophilic":[7],"which":[9,138],"very":[11],"similar":[12],"to":[13,123],"N-heterocyclic":[14],"(NHCs)":[16],"in":[17,30,58,107],"terms":[18,59],"their":[20,31,61],"reactivity,":[21],"but":[22],"they":[23],"do":[24],"not":[25],"contain":[26],"stabilizing":[28],"heteroatom":[29],"cyclic":[32],"ring":[33,77],"system.":[34],"In":[35],"this":[36],"study,":[37],"17":[38],"representative":[39],"known":[40,81,106],"CCCs":[41,46,105,132],"and":[42,53,64,82,91,115,126,135,143],"34":[43],"newly":[44],"designed":[45],"evaluated":[48],"using":[49,97],"quantum":[50],"chemical":[51],"methods,":[52],"the":[54,74,80,104,108,124],"results":[55,70,101],"compared":[57],"stability,":[62,86],"nucleophilicity,":[63,87],"proton":[65],"affinity":[66],"(PA)":[67],"parameters.":[68],"The":[69,85,100],"divided":[72],"on":[73],"basis":[75],"size":[78],"reported":[83],"CCCs.":[84],"PA,":[88],"complexation":[89],"energy,":[90],"bond":[92],"strength-related":[93],"parameters":[94],"were":[95],"estimated":[96],"M06/6-311++G(d,p)":[98],"method.":[99],"indicated":[102],"that":[103],"literature":[109],"strong":[111],"\u03c3-electron":[112],"donating":[113],"species":[114],"have":[116],"considerable":[117],"\u03c0-accepting":[118],"properties.":[119],"This":[120],"study":[121],"led":[122],"design":[125],"identification":[127],"few":[130],"new":[131],"with":[133],"dimethylamine":[134],"diaminomethynyl":[136],"substituents":[137],"can":[139],"be":[140],"singlet":[141],"stable":[142],"substantially":[145],"nucleophilic.":[146],"\u00a9":[147],"2018":[148],"Wiley":[149],"Periodicals,":[150],"Inc.":[151]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}