{"id":"https://openalex.org/W2000261741","doi":"https://doi.org/10.1007/s00894-013-1877-x","title":"A comparative study of the aromaticity of pyrrole, furan, thiophene, and their aza-derivatives","display_name":"A comparative study of the aromaticity of pyrrole, furan, thiophene, and their aza-derivatives","publication_year":2013,"publication_date":"2013-05-28","ids":{"openalex":"https://openalex.org/W2000261741","doi":"https://doi.org/10.1007/s00894-013-1877-x","mag":"2000261741","pmid":"https://pubmed.ncbi.nlm.nih.gov/23716174"},"language":"en","primary_location":{"id":"doi:10.1007/s00894-013-1877-x","doi":"https://doi.org/10.1007/s00894-013-1877-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-013-1877-x","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},"volume":null,"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/A5021495675","display_name":"Kalbinur Najmidin","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I96908189","display_name":"Xinjiang University","ror":"https://ror.org/059gw8r13","country_code":"CN","type":"education","lineage":["https://openalex.org/I96908189"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kalbinur Najmidin","raw_affiliation_strings":["Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","institution_ids":["https://openalex.org/I96908189"]},{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China","institution_ids":["https://openalex.org/I96908189"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079062021","display_name":"Ablikim Kerim","orcid":"https://orcid.org/0000-0002-4621-8692","observed_orcids":["https://orcid.org/0000-0002-4621-8692"]},"institutions":[{"id":"https://openalex.org/I96908189","display_name":"Xinjiang University","ror":"https://ror.org/059gw8r13","country_code":"CN","type":"education","lineage":["https://openalex.org/I96908189"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Ablikim Kerim","raw_affiliation_strings":["Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","institution_ids":["https://openalex.org/I96908189"]},{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China","institution_ids":["https://openalex.org/I96908189"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062533169","display_name":"Paruza Abdirishit","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I96908189","display_name":"Xinjiang University","ror":"https://ror.org/059gw8r13","country_code":"CN","type":"education","lineage":["https://openalex.org/I96908189"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Paruza Abdirishit","raw_affiliation_strings":["Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","institution_ids":["https://openalex.org/I96908189"]},{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China","institution_ids":["https://openalex.org/I96908189"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069832475","display_name":"Horigul Kalam","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I96908189","display_name":"Xinjiang University","ror":"https://ror.org/059gw8r13","country_code":"CN","type":"education","lineage":["https://openalex.org/I96908189"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Horigul Kalam","raw_affiliation_strings":["Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","institution_ids":["https://openalex.org/I96908189"]},{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China","institution_ids":["https://openalex.org/I96908189"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071458604","display_name":"Tursungul Tawar","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I96908189","display_name":"Xinjiang University","ror":"https://ror.org/059gw8r13","country_code":"CN","type":"education","lineage":["https://openalex.org/I96908189"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tursungul Tawar","raw_affiliation_strings":["Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, China","institution_ids":["https://openalex.org/I96908189"]},{"raw_affiliation_string":"Urumqi Key Laboratory of Green Catalysis and Synthesis Technology, School of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, China","institution_ids":["https://openalex.org/I96908189"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5079062021"],"corresponding_institution_ids":["https://openalex.org/I96908189"],"apc_list":{"value":4290,"currency":"USD","value_usd":4290},"apc_paid":null,"fwci":0.911,"has_fulltext":false,"cited_by_count":54,"citation_normalized_percentile":{"value":0.69970376,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"19","issue":"9","first_page":"3529","last_page":"3535"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.9961000084877014,"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/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.9961000084877014,"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/T12562","display_name":"Synthesis and Characterization of Pyrroles","score":0.000699999975040555,"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/T12410","display_name":"Structural and Chemical Analysis of Organic and Inorganic Compounds","score":0.0005000000237487257,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/aromaticity","display_name":"aromaticity","score":0.9789999723434448},{"id":"https://openalex.org/keywords/pyrrole","display_name":"pyrrole","score":0.9670000076293945},{"id":"https://openalex.org/keywords/furan","display_name":"furan","score":1.0},{"id":"https://openalex.org/keywords/thiophene","display_name":"thiophene","score":1.0},{"id":"https://openalex.org/keywords/heteroatom-effects","display_name":"heteroatom effects","score":0.5860000252723694},{"id":"https://openalex.org/keywords/topological-resonance-energy","display_name":"topological resonance energy","score":0.824999988079071},{"id":"https://openalex.org/keywords/ring-current","display_name":"ring current","score":0.9480000138282776},{"id":"https://openalex.org/keywords/aromatic-stabilization-energy","display_name":"aromatic stabilization energy","score":0.9380000233650208},{"id":"https://openalex.org/keywords/homa","display_name":"HOMA","score":0.8429999947547913},{"id":"https://openalex.org/keywords/pi-electron-distribution","display_name":"\u03c0-electron distribution","score":0.9139999747276306}],"concepts":[{"id":"https://openalex.org/C192386470","wikidata":"https://www.wikidata.org/wiki/Q210390","display_name":"Aromaticity","level":3,"score":0.9898862242698669},{"id":"https://openalex.org/C20950531","wikidata":"https://www.wikidata.org/wiki/Q161940","display_name":"Heteroatom","level":3,"score":0.852586567401886},{"id":"https://openalex.org/C2779953032","wikidata":"https://www.wikidata.org/wiki/Q305364","display_name":"Thiophene","level":2,"score":0.8476118445396423},{"id":"https://openalex.org/C2779400197","wikidata":"https://www.wikidata.org/wiki/Q242627","display_name":"Pyrrole","level":2,"score":0.8016810417175293},{"id":"https://openalex.org/C2778659115","wikidata":"https://www.wikidata.org/wiki/Q243992","display_name":"Furan","level":2,"score":0.7764880657196045},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.6554309725761414},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6312427520751953},{"id":"https://openalex.org/C111429119","wikidata":"https://www.wikidata.org/wiki/Q899127","display_name":"Chemical shift","level":2,"score":0.5267583727836609},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.49027732014656067},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4777052402496338},{"id":"https://openalex.org/C139210041","wikidata":"https://www.wikidata.org/wiki/Q2145840","display_name":"Resonance (particle physics)","level":2,"score":0.4267699420452118},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.18461400270462036},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.16162708401679993},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.13707098364830017},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09149524569511414}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/s00894-013-1877-x","doi":"https://doi.org/10.1007/s00894-013-1877-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-013-1877-x","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},{"id":"pmid:23716174","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23716174","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 molecular modeling","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W1966356592","https://openalex.org/W1966664810","https://openalex.org/W1968228737","https://openalex.org/W1973145731","https://openalex.org/W1973393128","https://openalex.org/W1974152495","https://openalex.org/W1976160493","https://openalex.org/W1977009069","https://openalex.org/W1987416882","https://openalex.org/W1989727052","https://openalex.org/W1996618874","https://openalex.org/W1999281707","https://openalex.org/W1999387831","https://openalex.org/W2001108599","https://openalex.org/W2002503459","https://openalex.org/W2003850441","https://openalex.org/W2010222643","https://openalex.org/W2014869434","https://openalex.org/W2025924224","https://openalex.org/W2037171916","https://openalex.org/W2038347777","https://openalex.org/W2045871692","https://openalex.org/W2050492831","https://openalex.org/W2053248916","https://openalex.org/W2061180154","https://openalex.org/W2062348717","https://openalex.org/W2066341692","https://openalex.org/W2070005238","https://openalex.org/W2075559657","https://openalex.org/W2079940504","https://openalex.org/W2082339452","https://openalex.org/W2083879595","https://openalex.org/W2091568416","https://openalex.org/W2099182633","https://openalex.org/W2106298831","https://openalex.org/W2111702596","https://openalex.org/W2120967844","https://openalex.org/W2123768909","https://openalex.org/W2328628169","https://openalex.org/W2755438621","https://openalex.org/W2949901608","https://openalex.org/W2951062436","https://openalex.org/W2952131730","https://openalex.org/W3004701200","https://openalex.org/W4211102859"],"related_works":["https://openalex.org/W2301954801","https://openalex.org/W2061180154","https://openalex.org/W2029270920","https://openalex.org/W2091065395","https://openalex.org/W2322004726","https://openalex.org/W7124745068","https://openalex.org/W3183877080","https://openalex.org/W3006931989","https://openalex.org/W2949160492","https://openalex.org/W1996153313"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2016-06-24T00:00:00"}