{"id":"https://openalex.org/W4388048702","doi":"https://doi.org/10.3390/cryst13111556","title":"Theoretical Investigation of Anhydrofusarubin: Structural and Optical Properties","display_name":"Theoretical Investigation of Anhydrofusarubin: Structural and Optical Properties","publication_year":2023,"publication_date":"2023-10-31","ids":{"openalex":"https://openalex.org/W4388048702","doi":"https://doi.org/10.3390/cryst13111556"},"language":"en","primary_location":{"id":"doi:10.3390/cryst13111556","doi":"https://doi.org/10.3390/cryst13111556","is_oa":true,"landing_page_url":"https://doi.org/10.3390/cryst13111556","pdf_url":"https://www.mdpi.com/2073-4352/13/11/1556/pdf?version=1698745651","source":{"id":"https://openalex.org/S4210196485","display_name":"Crystals","issn_l":"2073-4352","issn":["2073-4352"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Crystals","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2073-4352/13/11/1556/pdf?version=1698745651","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035160413","display_name":"Dmitrii Vasil'evich Pankin","orcid":"https://orcid.org/0000-0003-3114-3410","observed_orcids":["https://orcid.org/0000-0003-3114-3410"]},"institutions":[{"id":"https://openalex.org/I172901346","display_name":"St Petersburg University","ror":"https://ror.org/023znxa73","country_code":"RU","type":"education","lineage":["https://openalex.org/I172901346"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Dmitrii Pankin","raw_affiliation_strings":["Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia","institution_ids":["https://openalex.org/I172901346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054985657","display_name":"Anastasia Povolotckaia","orcid":"https://orcid.org/0000-0003-2678-474X","observed_orcids":["https://orcid.org/0000-0003-2678-474X"]},"institutions":[{"id":"https://openalex.org/I172901346","display_name":"St Petersburg University","ror":"https://ror.org/023znxa73","country_code":"RU","type":"education","lineage":["https://openalex.org/I172901346"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Anastasia Povolotckaia","raw_affiliation_strings":["Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia"],"raw_orcid":"https://orcid.org/0000-0003-2678-474X","affiliations":[{"raw_affiliation_string":"Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia","institution_ids":["https://openalex.org/I172901346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048239595","display_name":"Mikhail B. Smirnov","orcid":"https://orcid.org/0000-0002-4292-1989","observed_orcids":["https://orcid.org/0000-0002-4292-1989","https://orcid.org/0000-0002-9820-9253"]},"institutions":[{"id":"https://openalex.org/I172901346","display_name":"St Petersburg University","ror":"https://ror.org/023znxa73","country_code":"RU","type":"education","lineage":["https://openalex.org/I172901346"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Mikhail Smirnov","raw_affiliation_strings":["Faculty of Physics, St. Petersburg State University, Universitetskaya Nab. 7/9, 199034 St. Petersburg, Russia"],"raw_orcid":"https://orcid.org/0000-0002-4292-1989","affiliations":[{"raw_affiliation_string":"Faculty of Physics, St. Petersburg State University, Universitetskaya Nab. 7/9, 199034 St. Petersburg, Russia","institution_ids":["https://openalex.org/I172901346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033687472","display_name":"Evgenii V. Borisov","orcid":"https://orcid.org/0000-0003-2254-0174","observed_orcids":["https://orcid.org/0000-0003-2254-0174"]},"institutions":[{"id":"https://openalex.org/I172901346","display_name":"St Petersburg University","ror":"https://ror.org/023znxa73","country_code":"RU","type":"education","lineage":["https://openalex.org/I172901346"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Evgenii Borisov","raw_affiliation_strings":["Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia"],"raw_orcid":"https://orcid.org/0000-0003-2254-0174","affiliations":[{"raw_affiliation_string":"Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia","institution_ids":["https://openalex.org/I172901346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110814321","display_name":"\u0410\u043d\u0430\u0442\u043e\u043b\u0438\u0439 \u0410\u043d\u0430\u0442\u043e\u043b\u044c\u0435\u0432\u0438\u0447 \u0413\u0443\u043b\u044f\u0435\u0432","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210159532","display_name":"Federal Scientific Agroengineering Center VIM","ror":"https://ror.org/05fhdzx69","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210159532","https://openalex.org/I4210167168"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Anatoly Gulyaev","raw_affiliation_strings":["Federal Scientific Agro-Engineering Center VIM, 1st Institutskiy Proezd 5, 109428 Moscow, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Federal Scientific Agro-Engineering Center VIM, 1st Institutskiy Proezd 5, 109428 Moscow, Russia","institution_ids":["https://openalex.org/I4210159532"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002521346","display_name":"Alexey Dorochov","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210159532","display_name":"Federal Scientific Agroengineering Center VIM","ror":"https://ror.org/05fhdzx69","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210159532","https://openalex.org/I4210167168"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Alexey Dorochov","raw_affiliation_strings":["Federal Scientific Agro-Engineering Center VIM, 1st Institutskiy Proezd 5, 109428 Moscow, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Federal Scientific Agro-Engineering Center VIM, 1st Institutskiy Proezd 5, 109428 Moscow, Russia","institution_ids":["https://openalex.org/I4210159532"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060466533","display_name":"Vasiliy S. Novikov","orcid":"https://orcid.org/0000-0002-3304-1568","observed_orcids":["https://orcid.org/0000-0002-3304-1568"]},"institutions":[{"id":"https://openalex.org/I4210153510","display_name":"Prokhorov General Physics Institute","ror":"https://ror.org/050rg6t21","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210096333","https://openalex.org/I4210153510"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Vasiliy Novikov","raw_affiliation_strings":["Prokhorov General Physics Institute of the Russian Academy of Sciences, Department of Oscillation, Vavilov St. 38, 119991 Moscow, Russia"],"raw_orcid":"https://orcid.org/0000-0002-3304-1568","affiliations":[{"raw_affiliation_string":"Prokhorov General Physics Institute of the Russian Academy of Sciences, Department of Oscillation, Vavilov St. 38, 119991 Moscow, Russia","institution_ids":["https://openalex.org/I4210153510"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101580445","display_name":"Sergey M. Kuznetsov","orcid":"https://orcid.org/0000-0002-8378-7085","observed_orcids":["https://orcid.org/0000-0002-8378-7085"]},"institutions":[{"id":"https://openalex.org/I4210153510","display_name":"Prokhorov General Physics Institute","ror":"https://ror.org/050rg6t21","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210096333","https://openalex.org/I4210153510"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Sergey Kuznetsov","raw_affiliation_strings":["Prokhorov General Physics Institute of the Russian Academy of Sciences, Department of Oscillation, Vavilov St. 38, 119991 Moscow, Russia"],"raw_orcid":"https://orcid.org/0000-0002-8378-7085","affiliations":[{"raw_affiliation_string":"Prokhorov General Physics Institute of the Russian Academy of Sciences, Department of Oscillation, Vavilov St. 38, 119991 Moscow, Russia","institution_ids":["https://openalex.org/I4210153510"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078681088","display_name":"Oleg V. Noy","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Oleg Noy","raw_affiliation_strings":["L.L.C. Rostagroservice, 344012 Rostov-on-Don, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"L.L.C. Rostagroservice, 344012 Rostov-on-Don, Russia","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008780992","display_name":"Sergey Vitalievich Belousov","orcid":"https://orcid.org/0000-0002-8874-9862","observed_orcids":["https://orcid.org/0000-0002-8874-9862"]},"institutions":[{"id":"https://openalex.org/I2426469","display_name":"Kuban State Agrarian University","ror":"https://ror.org/058jafb94","country_code":"RU","type":"education","lineage":["https://openalex.org/I2426469"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Sergey Belousov","raw_affiliation_strings":["Department of Processes and Machines in Agribusiness, Kuban State Agrarian University Named after I.T. Trubilin, 350044 Krasnodar, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Processes and Machines in Agribusiness, Kuban State Agrarian University Named after I.T. Trubilin, 350044 Krasnodar, Russia","institution_ids":["https://openalex.org/I2426469"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075934760","display_name":"Maksim Nikolaevich Moskovskiy","orcid":"https://orcid.org/0000-0001-5727-8706","observed_orcids":["https://orcid.org/0000-0001-5727-8706"]},"institutions":[{"id":"https://openalex.org/I4210159532","display_name":"Federal Scientific Agroengineering Center VIM","ror":"https://ror.org/05fhdzx69","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210159532","https://openalex.org/I4210167168"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Maksim Moskovskiy","raw_affiliation_strings":["Federal Scientific Agro-Engineering Center VIM, 1st Institutskiy Proezd 5, 109428 Moscow, Russia"],"raw_orcid":"https://orcid.org/0000-0001-5727-8706","affiliations":[{"raw_affiliation_string":"Federal Scientific Agro-Engineering Center VIM, 1st Institutskiy Proezd 5, 109428 Moscow, Russia","institution_ids":["https://openalex.org/I4210159532"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5054985657"],"corresponding_institution_ids":["https://openalex.org/I172901346"],"apc_list":{"value":2000,"currency":"CHF","value_usd":2224},"apc_paid":{"value":2000,"currency":"CHF","value_usd":2224},"fwci":0.6627,"has_fulltext":true,"cited_by_count":11,"citation_normalized_percentile":{"value":0.56456255,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"13","issue":"11","first_page":"1556","last_page":"1556"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.3310999870300293,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.3310999870300293,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.28439998626708984,"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/T12748","display_name":"Molecular spectroscopy and chirality","score":0.2563000023365021,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/naphthoquinone-pigments","display_name":"naphthoquinone pigments","score":0.921999990940094},{"id":"https://openalex.org/keywords/fusarium","display_name":"Fusarium","score":0.7770000100135803},{"id":"https://openalex.org/keywords/structure-property-relationships","display_name":"structure-property relationships","score":0.7269999980926514},{"id":"https://openalex.org/keywords/tautomerism","display_name":"tautomerism","score":0.8569999933242798},{"id":"https://openalex.org/keywords/vibrational-spectra-simulation","display_name":"vibrational spectra simulation","score":0.6759999990463257},{"id":"https://openalex.org/keywords/uv-visible-absorption-spectra","display_name":"UV-visible absorption spectra","score":0.9869999885559082},{"id":"https://openalex.org/keywords/molecular-stability","display_name":"molecular stability","score":0.781000018119812},{"id":"https://openalex.org/keywords/antibiotics","display_name":"antibiotics","score":0.44600000977516174},{"id":"https://openalex.org/keywords/anticancer-agents","display_name":"anticancer agents","score":0.7950000166893005}],"concepts":[{"id":"https://openalex.org/C111233374","wikidata":"https://www.wikidata.org/wiki/Q334640","display_name":"Tautomer","level":2,"score":0.6364468932151794},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5281407833099365},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4889644384384155},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4803429841995239},{"id":"https://openalex.org/C2777505907","wikidata":"https://www.wikidata.org/wiki/Q217356","display_name":"Pyran","level":2,"score":0.4793549180030823},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4353080987930298},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4349743127822876},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.42865726351737976},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.417896568775177},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.2338671088218689},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.1737906038761139},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.16121125221252441}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/cryst13111556","doi":"https://doi.org/10.3390/cryst13111556","is_oa":true,"landing_page_url":"https://doi.org/10.3390/cryst13111556","pdf_url":"https://www.mdpi.com/2073-4352/13/11/1556/pdf?version=1698745651","source":{"id":"https://openalex.org/S4210196485","display_name":"Crystals","issn_l":"2073-4352","issn":["2073-4352"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Crystals","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:b16d84d2ac9c4565b964d77fefbeaba7","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/b16d84d2ac9c4565b964d77fefbeaba7","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Crystals, Vol 13, Iss 11, p 1556 (2023)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/cryst13111556","doi":"https://doi.org/10.3390/cryst13111556","is_oa":true,"landing_page_url":"https://doi.org/10.3390/cryst13111556","pdf_url":"https://www.mdpi.com/2073-4352/13/11/1556/pdf?version=1698745651","source":{"id":"https://openalex.org/S4210196485","display_name":"Crystals","issn_l":"2073-4352","issn":["2073-4352"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Crystals","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1717111205","display_name":null,"funder_award_id":"075-15-2020","funder_id":"https://openalex.org/F4320327494","funder_display_name":"Ministry of Science and Higher Education of the Russian Federation"},{"id":"https://openalex.org/G283482251","display_name":null,"funder_award_id":"075-15-2020-774","funder_id":"https://openalex.org/F4320327494","funder_display_name":"Ministry of Science and Higher Education of the Russian Federation"},{"id":"https://openalex.org/G6444257319","display_name":null,"funder_award_id":"075-15-","funder_id":"https://openalex.org/F4320327494","funder_display_name":"Ministry of Science and Higher Education of the Russian Federation"}],"funders":[{"id":"https://openalex.org/F4320322515","display_name":"Saint Petersburg State University","ror":"https://ror.org/023znxa73"},{"id":"https://openalex.org/F4320327494","display_name":"Ministry of Science and Higher Education of the Russian Federation","ror":null},{"id":"https://openalex.org/F4320337367","display_name":"Division of Materials Research","ror":"https://ror.org/01pc7k308"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4388048702.pdf","grobid_xml":"https://content.openalex.org/works/W4388048702.grobid-xml"},"referenced_works_count":45,"referenced_works":["https://openalex.org/W57429253","https://openalex.org/W582024869","https://openalex.org/W622167568","https://openalex.org/W1539260866","https://openalex.org/W2003160601","https://openalex.org/W2016325227","https://openalex.org/W2032269112","https://openalex.org/W2039655825","https://openalex.org/W2044591029","https://openalex.org/W2072353981","https://openalex.org/W2089932731","https://openalex.org/W2094623307","https://openalex.org/W2159752439","https://openalex.org/W2230728100","https://openalex.org/W2292155843","https://openalex.org/W2327049633","https://openalex.org/W2338444108","https://openalex.org/W2397385657","https://openalex.org/W2498445132","https://openalex.org/W2509872912","https://openalex.org/W2533510557","https://openalex.org/W2550974069","https://openalex.org/W2614542690","https://openalex.org/W2745897434","https://openalex.org/W2795764823","https://openalex.org/W2889732988","https://openalex.org/W2901904817","https://openalex.org/W2953575272","https://openalex.org/W2964381786","https://openalex.org/W2970170547","https://openalex.org/W3016920045","https://openalex.org/W3020337817","https://openalex.org/W3025191511","https://openalex.org/W3130404217","https://openalex.org/W3188162953","https://openalex.org/W3191098546","https://openalex.org/W3216042059","https://openalex.org/W4206504338","https://openalex.org/W4234136859","https://openalex.org/W4283765674","https://openalex.org/W4313824501","https://openalex.org/W4319758601","https://openalex.org/W4323313508","https://openalex.org/W4386777285","https://openalex.org/W7008700497"],"related_works":["https://openalex.org/W4390637870","https://openalex.org/W4390677494","https://openalex.org/W2050431682","https://openalex.org/W2763678557","https://openalex.org/W2033304706","https://openalex.org/W2283671307","https://openalex.org/W2252582666","https://openalex.org/W2951062304","https://openalex.org/W4403218430","https://openalex.org/W2952663416"],"abstract_inverted_index":{"Anhydrofusarubin":[0,49,80],"is":[1],"a":[2,7,14,133,143],"naphthoquinone":[3],"pigment":[4],"synthesized":[5],"by":[6],"number":[8],"of":[9,31,48,60,70,78,99,153,155,162],"Fusarium":[10],"genus":[11],"fungi.":[12],"Being":[13],"biologically":[15],"active":[16],"substance,":[17],"it":[18],"demonstrates":[19],"promising":[20],"antibiotic":[21],"properties":[22,44,96],"and":[23,45,54,62,82,97,109,114,142,182,188],"rather":[24],"good":[25,169],"hypothetical":[26],"effectiveness":[27],"against":[28],"certain":[29],"types":[30],"cancer.":[32],"In":[33,65,126],"this":[34,56,66],"regard,":[35,67],"an":[36],"important":[37],"task":[38],"arises":[39],"to":[40,52,74,92,128],"study":[41,75],"the":[42,68,71,76,79,94,100,115,129,151,156,160,172,177],"structural":[43],"spectral":[46],"manifestation":[47],"in":[50,58,168],"order":[51],"identify":[53],"characterize":[55],"substance":[57],"terms":[59],"synthesis":[61],"application":[63],"purposes.":[64],"aim":[69],"article":[72],"was":[73,90,148],"structure":[77],"molecule":[81],"its":[83],"structure-property":[84],"correlation.":[85],"The":[86,103,180],"density":[87],"functional":[88],"theory":[89],"used":[91],"investigate":[93],"optical":[95],"stability":[98],"molecular":[101],"structures.":[102],"computational":[104],"results":[105],"obtained":[106],"with":[107,122,135,171],"B3LYP":[108],"wb97XD":[110],"exchange":[111],"correlation":[112],"functionals":[113],"triple":[116],"zeta":[117],"basis":[118],"sets":[119],"were":[120,186],"compared":[121],"available":[123],"experimental":[124,174],"data.":[125],"addition":[127],"ground":[130],"state":[131],"structure,":[132],"tautomer":[134],"slightly":[136],"higher":[137],"energy":[138],"(by":[139],"0.78\u20130.9":[140],"kcal/mol)":[141],"relatively":[144],"small":[145],"potential":[146],"barrier":[147],"found.":[149],"Also,":[150],"investigation":[152],"flexibility":[154],"pyran":[157],"ring":[158],"reveals":[159],"presence":[161],"two":[163],"conformational":[164],"enantiomer":[165],"forms,":[166],"being":[167],"agreement":[170],"recent":[173],"data":[175],"on":[176],"crystal":[178],"structure.":[179],"vibrational":[181],"UV-visible":[183],"absorption":[184],"spectra":[185],"simulated":[187],"interpreted.":[189]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2023-11-01T00:00:00"}
