{"id":"https://openalex.org/W588373350","doi":null,"title":"Study of the Electronic Structure of Thiazole Ring by the Molecular Orbital Method","display_name":"Study of the Electronic Structure of Thiazole Ring by the Molecular Orbital Method","publication_year":1974,"publication_date":"1974-03-01","ids":{"openalex":"https://openalex.org/W588373350","mag":"588373350"},"language":"en","primary_location":{"id":"pmh:oai:ir.lib.u-ryukyu.ac.jp:123456789/24621","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/20.500.12000/24621","pdf_url":"http://hdl.handle.net/20.500.12000/24621","source":{"id":"https://openalex.org/S4306402173","display_name":"University of the Ryukyus academic repository (University of the Ryukyus)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I32915989","host_organization_name":"University of the Ryukyus","host_organization_lineage":["https://openalex.org/I32915989"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"\u7d00\u8981\u8ad6\u6587"},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/20.500.12000/24621","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5111491090","display_name":"Fumihide Inoue","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Fumihide Inoue","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081910282","display_name":"Fukuichi Nakada","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Fukuichi Nakada","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077308855","display_name":"\u6587\u79c0 \u4e95\u4e0a","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"\u6587\u79c0 \u4e95\u4e0a","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5054801199","display_name":"\u798f\u5e02 \u4e2d\u7530","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"\u798f\u5e02 \u4e2d\u7530","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"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":null,"issue":"17","first_page":"51","last_page":"54"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.8529999852180481,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.8529999852180481,"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/T12410","display_name":"Structural and Chemical Analysis of Organic and Inorganic Compounds","score":0.02930000051856041,"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/T12191","display_name":"Physical Organic Chemistry and Reaction Kinetics","score":0.024800000712275505,"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/thiazole","display_name":"thiazole","score":0.875},{"id":"https://openalex.org/keywords/thiazole-derivatives","display_name":"thiazole derivatives","score":0.9470000267028809},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.8560000061988831},{"id":"https://openalex.org/keywords/molecular-orbital-calculations","display_name":"molecular orbital calculations","score":0.7120000123977661},{"id":"https://openalex.org/keywords/energy-levels","display_name":"energy levels","score":0.9229999780654907},{"id":"https://openalex.org/keywords/electron-distribution","display_name":"electron distribution","score":0.9829999804496765},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.9049999713897705}],"concepts":[{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.6169725656509399},{"id":"https://openalex.org/C2778464347","wikidata":"https://www.wikidata.org/wiki/Q413426","display_name":"Thiazole","level":2,"score":0.49958062171936035},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.43652141094207764},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3098786473274231},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24948492646217346},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.19248613715171814},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.13458174467086792},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.11800110340118408},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"pmh:oai:ir.lib.u-ryukyu.ac.jp:123456789/24621","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/20.500.12000/24621","pdf_url":"http://hdl.handle.net/20.500.12000/24621","source":{"id":"https://openalex.org/S4306402173","display_name":"University of the Ryukyus academic repository (University of the Ryukyus)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I32915989","host_organization_name":"University of the Ryukyus","host_organization_lineage":["https://openalex.org/I32915989"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"\u7d00\u8981\u8ad6\u6587"},{"id":"pmh:oai:irdb.nii.ac.jp:00846:0005404011","doi":null,"is_oa":true,"landing_page_url":"https://u-ryukyu.repo.nii.ac.jp/records/2007137","pdf_url":"https://u-ryukyu.repo.nii.ac.jp/record/2007137/files/No17p051.pdf","source":{"id":"https://openalex.org/S7407056385","display_name":"Institutional Repositories DataBase (IRDB)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I184597095","host_organization_name":"National Institute of Informatics","host_organization_lineage":["https://openalex.org/I184597095"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bulletin of Science & Engineering Division, University of Ryukyus. Mathematics & natural sciences","raw_type":"departmental bulletin paper"},{"id":"pmh:oai:u-ryukyu.repo.nii.ac.jp:02007137","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/20.500.12000/24621","pdf_url":null,"source":{"id":"https://openalex.org/S7407055447","display_name":"University oh the Ryukyus Repository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"departmental bulletin paper"},{"id":"mag:588373350","doi":null,"is_oa":false,"landing_page_url":"https://ci.nii.ac.jp/naid/120004161577","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"pmh:oai:ir.lib.u-ryukyu.ac.jp:123456789/24621","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/20.500.12000/24621","pdf_url":"http://hdl.handle.net/20.500.12000/24621","source":{"id":"https://openalex.org/S4306402173","display_name":"University of the Ryukyus academic repository (University of the Ryukyus)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I32915989","host_organization_name":"University of the Ryukyus","host_organization_lineage":["https://openalex.org/I32915989"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"\u7d00\u8981\u8ad6\u6587"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W588373350.pdf","grobid_xml":"https://content.openalex.org/works/W588373350.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1996839893","https://openalex.org/W3085746279","https://openalex.org/W2045766854","https://openalex.org/W2094517193","https://openalex.org/W4236416089","https://openalex.org/W2970829159","https://openalex.org/W2067973866","https://openalex.org/W2023539064","https://openalex.org/W2024866757","https://openalex.org/W2613047592"],"abstract_inverted_index":{"The":[0,37,51],"empirical":[1],"molecular":[2],"orbital":[3],"(L.":[4],"C.":[5],"A.":[6],"0.":[7],"-M.":[8],"0.)":[9],"method":[10],"of":[11,21,34,40,45,59,62],"theoretical":[12],"quantum":[13],"chemistry":[14],"is":[15],"used":[16,55],"to":[17],"be":[18],"the":[19,22,26,57,60],"calculation":[20],"energy":[23],"levels":[24],"and":[25,31],"electron":[27],"distribution":[28],"in":[29],"thiazole":[30],"a":[32],"number":[33],"its":[35],"derivatives.":[36],"specific":[38],"value":[39],"carbon":[41],"(position":[42],"2)":[43],"atom":[44],"thiazolium":[46],"ring":[47],"takes":[48],"interesting":[49],"facts.":[50],"results":[52],"have":[53],"been":[54],"for":[56],"interpretation":[58],"mechanism":[61],"thiaminecatalyzed":[63],"reactions.":[64]},"counts_by_year":[],"updated_date":"2026-10-25T09:29:13.331239","created_date":"2016-06-24T00:00:00"}
