{"id":"https://openalex.org/W2883700538","doi":"https://doi.org/10.1016/j.chemphys.2018.07.022","title":"Experimental and theoretical study of the excited-state tautomerism of 6-azauracil in water surroundings","display_name":"Experimental and theoretical study of the excited-state tautomerism of 6-azauracil in water surroundings","publication_year":2018,"publication_date":"2018-07-20","ids":{"openalex":"https://openalex.org/W2883700538","doi":"https://doi.org/10.1016/j.chemphys.2018.07.022","mag":"2883700538"},"language":"en","primary_location":{"id":"doi:10.1016/j.chemphys.2018.07.022","doi":"https://doi.org/10.1016/j.chemphys.2018.07.022","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.chemphys.2018.07.022","pdf_url":null,"source":{"id":"https://openalex.org/S190037396","display_name":"Chemical Physics","issn_l":"0301-0104","issn":["0301-0104","1873-4421"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5062011945","display_name":"Evelin P. Yankov","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I192878625","display_name":"Plovdiv University","ror":"https://ror.org/0545p3742","country_code":"BG","type":"education","lineage":["https://openalex.org/I192878625"]}],"countries":["BG"],"is_corresponding":false,"raw_author_name":"Evelin P. Yankov","raw_affiliation_strings":["University of Plovdiv \u201cPaisii Hilendarski\u201d, Faculty of Chemistry, Tzar Asen 24, 4000 Plovdiv, Bulgaria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Plovdiv \u201cPaisii Hilendarski\u201d, Faculty of Chemistry, Tzar Asen 24, 4000 Plovdiv, Bulgaria","institution_ids":["https://openalex.org/I192878625"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063226623","display_name":"Rumyana Bakalska","orcid":"https://orcid.org/0000-0001-8638-8111","observed_orcids":["https://orcid.org/0000-0001-8638-8111"]},"institutions":[{"id":"https://openalex.org/I192878625","display_name":"Plovdiv University","ror":"https://ror.org/0545p3742","country_code":"BG","type":"education","lineage":["https://openalex.org/I192878625"]}],"countries":["BG"],"is_corresponding":false,"raw_author_name":"Rumyana I. Bakalska","raw_affiliation_strings":["University of Plovdiv \u201cPaisii Hilendarski\u201d, Faculty of Chemistry, Tzar Asen 24, 4000 Plovdiv, Bulgaria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Plovdiv \u201cPaisii Hilendarski\u201d, Faculty of Chemistry, Tzar Asen 24, 4000 Plovdiv, Bulgaria","institution_ids":["https://openalex.org/I192878625"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070273229","display_name":"Ernst Horkel","orcid":"https://orcid.org/0000-0003-0715-5374","observed_orcids":["https://orcid.org/0000-0003-0715-5374"]},"institutions":[{"id":"https://openalex.org/I145847075","display_name":"TU Wien","ror":"https://ror.org/04d836q62","country_code":"AT","type":"education","lineage":["https://openalex.org/I145847075"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Ernst Horkel","raw_affiliation_strings":["TU-Wien, Faculty of Technical Chemistry, Institute of Applied Synthetic Chemistry, Getreidemarkt 9, 1060 Wien, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"TU-Wien, Faculty of Technical Chemistry, Institute of Applied Synthetic Chemistry, Getreidemarkt 9, 1060 Wien, Austria","institution_ids":["https://openalex.org/I145847075"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081235479","display_name":"Dennis Svatunek","orcid":"https://orcid.org/0000-0003-1101-2376","observed_orcids":["https://orcid.org/0000-0003-1101-2376"]},"institutions":[{"id":"https://openalex.org/I145847075","display_name":"TU Wien","ror":"https://ror.org/04d836q62","country_code":"AT","type":"education","lineage":["https://openalex.org/I145847075"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Dennis Svatunek","raw_affiliation_strings":["TU-Wien, Faculty of Technical Chemistry, Institute of Applied Synthetic Chemistry, Getreidemarkt 9, 1060 Wien, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"TU-Wien, Faculty of Technical Chemistry, Institute of Applied Synthetic Chemistry, Getreidemarkt 9, 1060 Wien, Austria","institution_ids":["https://openalex.org/I145847075"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5067630672","display_name":"Vassil Borisov Delchev","orcid":"https://orcid.org/0000-0002-8305-413X","observed_orcids":["https://orcid.org/0000-0002-8305-413X"]},"institutions":[{"id":"https://openalex.org/I192878625","display_name":"Plovdiv University","ror":"https://ror.org/0545p3742","country_code":"BG","type":"education","lineage":["https://openalex.org/I192878625"]}],"countries":["BG"],"is_corresponding":true,"raw_author_name":"Vassil B. Delchev","raw_affiliation_strings":["University of Plovdiv \u201cPaisii Hilendarski\u201d, Faculty of Chemistry, Tzar Asen 24, 4000 Plovdiv, Bulgaria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Plovdiv \u201cPaisii Hilendarski\u201d, Faculty of Chemistry, Tzar Asen 24, 4000 Plovdiv, Bulgaria","institution_ids":["https://openalex.org/I192878625"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5067630672"],"corresponding_institution_ids":["https://openalex.org/I192878625"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.6334,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.53465574,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"515","issue":null,"first_page":"663","last_page":"671"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.9520999789237976,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.9520999789237976,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.03610000014305115,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.005799999926239252,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/6-azauracil","display_name":"6-azauracil","score":0.9980000257492065},{"id":"https://openalex.org/keywords/excited-state-tautomerism","display_name":"excited-state tautomerism","score":0.9869999885559082},{"id":"https://openalex.org/keywords/phototautomerization","display_name":"phototautomerization","score":0.9929999709129333},{"id":"https://openalex.org/keywords/water-solvation","display_name":"water solvation","score":0.5170000195503235},{"id":"https://openalex.org/keywords/conical-intersections","display_name":"conical intersections","score":0.9279999732971191},{"id":"https://openalex.org/keywords/reaction-pathways","display_name":"reaction pathways","score":0.41100001335144043},{"id":"https://openalex.org/keywords/pcm-solvent-model","display_name":"PCM solvent model","score":0.34200000762939453}],"concepts":[{"id":"https://openalex.org/C111233374","wikidata":"https://www.wikidata.org/wiki/Q334640","display_name":"Tautomer","level":2,"score":0.9945553541183472},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.862621009349823},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.8094986081123352},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5122057795524597},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.5008268356323242},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.42984068393707275},{"id":"https://openalex.org/C65024703","wikidata":"https://www.wikidata.org/wiki/Q373406","display_name":"Reaction mechanism","level":3,"score":0.4241907000541687},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.37792375683784485},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.230251282453537},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.1830885410308838},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11135503649711609},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07752934098243713},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.06266620755195618},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.05442237854003906}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.chemphys.2018.07.022","doi":"https://doi.org/10.1016/j.chemphys.2018.07.022","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.chemphys.2018.07.022","pdf_url":null,"source":{"id":"https://openalex.org/S190037396","display_name":"Chemical Physics","issn_l":"0301-0104","issn":["0301-0104","1873-4421"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1766285062","display_name":null,"funder_award_id":"DNTS/AVSTRIA01/05","funder_id":"https://openalex.org/F4320321843","funder_display_name":"Bulgarian National Science Fund"},{"id":"https://openalex.org/G2117055694","display_name":null,"funder_award_id":"BG 04/2017","funder_id":"https://openalex.org/F4320323056","funder_display_name":"\u00d6sterreichische Agentur f\u00fcr Internationale Mobilit\u00e4t und Kooperation in Bildung, Wissenschaft und Forschung"}],"funders":[{"id":"https://openalex.org/F4320321843","display_name":"Bulgarian National Science Fund","ror":"https://ror.org/05eg49r29"},{"id":"https://openalex.org/F4320323056","display_name":"\u00d6sterreichische Agentur f\u00fcr Internationale Mobilit\u00e4t und Kooperation in Bildung, Wissenschaft und Forschung","ror":"https://ror.org/05y9csv14"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W189555164","https://openalex.org/W1498524516","https://openalex.org/W1508545703","https://openalex.org/W1577770943","https://openalex.org/W1965957725","https://openalex.org/W1967203418","https://openalex.org/W1970840181","https://openalex.org/W1973275102","https://openalex.org/W1976645299","https://openalex.org/W1978337914","https://openalex.org/W1982225862","https://openalex.org/W1994488631","https://openalex.org/W1996675329","https://openalex.org/W1997465786","https://openalex.org/W2001305734","https://openalex.org/W2008916603","https://openalex.org/W2020678264","https://openalex.org/W2022950330","https://openalex.org/W2024449122","https://openalex.org/W2026102006","https://openalex.org/W2026416462","https://openalex.org/W2036970927","https://openalex.org/W2053242843","https://openalex.org/W2055742292","https://openalex.org/W2059745704","https://openalex.org/W2064526317","https://openalex.org/W2065757731","https://openalex.org/W2066053481","https://openalex.org/W2085769008","https://openalex.org/W2091856868","https://openalex.org/W2099793983","https://openalex.org/W2123474759","https://openalex.org/W2126417186","https://openalex.org/W2144783661","https://openalex.org/W2154714157","https://openalex.org/W2171083607","https://openalex.org/W2178006639","https://openalex.org/W2207434029","https://openalex.org/W2262410664","https://openalex.org/W2319127394","https://openalex.org/W2490914316","https://openalex.org/W2639728117"],"related_works":["https://openalex.org/W2997538944","https://openalex.org/W4231540323","https://openalex.org/W4391054652","https://openalex.org/W2885577143","https://openalex.org/W2319127394","https://openalex.org/W2029588073","https://openalex.org/W2993691215","https://openalex.org/W4407360187","https://openalex.org/W4386407493","https://openalex.org/W4390949129"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2018-08-03T00:00:00"}