{"id":"https://openalex.org/W4288085524","doi":"https://doi.org/10.1007/978-3-031-10592-0_19","title":"Theoretical Study of the Reaction O(3P)\u2009+\u20091,2-Butadiene","display_name":"Theoretical Study of the Reaction O(3P)\u2009+\u20091,2-Butadiene","publication_year":2022,"publication_date":"2022-01-01","ids":{"openalex":"https://openalex.org/W4288085524","doi":"https://doi.org/10.1007/978-3-031-10592-0_19"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-031-10592-0_19","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-031-10592-0_19","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","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/A5060943979","display_name":"Gianmarco Vanuzzo","orcid":"https://orcid.org/0000-0002-4371-149X"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Gianmarco Vanuzzo","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0002-4371-149X","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001325250","display_name":"Andrea Giustini","orcid":"https://orcid.org/0000-0002-3020-4691"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Andrea Giustini","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0002-3020-4691","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071062839","display_name":"Marzio Rosi","orcid":"https://orcid.org/0000-0002-1264-3877"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Marzio Rosi","raw_affiliation_strings":["Department of Civil and Environmental Engineering, University of Perugia, 06125, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0002-1264-3877","affiliations":[{"raw_affiliation_string":"Department of Civil and Environmental Engineering, University of Perugia, 06125, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072921237","display_name":"Piergiorgio Casavecchia","orcid":"https://orcid.org/0000-0003-1934-7891"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Piergiorgio Casavecchia","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0003-1934-7891","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038953056","display_name":"Nadia Balucani","orcid":"https://orcid.org/0000-0001-5121-5683"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Nadia Balucani","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0001-5121-5683","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnology, University of Perugia, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5060943979"],"corresponding_institution_ids":["https://openalex.org/I27483092"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.24413863,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"249","last_page":"263"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9976000189781189,"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9976000189781189,"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/T13013","display_name":"Free Radicals and Antioxidants","score":0.9976000189781189,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9965000152587891,"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/coupled-cluster","display_name":"Coupled cluster","score":0.6390653848648071},{"id":"https://openalex.org/keywords/maxima-and-minima","display_name":"Maxima and minima","score":0.6115632057189941},{"id":"https://openalex.org/keywords/singlet-state","display_name":"Singlet state","score":0.548676073551178},{"id":"https://openalex.org/keywords/1-3-butadiene","display_name":"1,3-Butadiene","score":0.5392504930496216},{"id":"https://openalex.org/keywords/transition-state","display_name":"Transition state","score":0.49772241711616516},{"id":"https://openalex.org/keywords/branching","display_name":"Branching (polymer chemistry)","score":0.45145803689956665},{"id":"https://openalex.org/keywords/product","display_name":"Product (mathematics)","score":0.4316929876804352},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.38919055461883545},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.38636520504951477},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.3746523857116699},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.33640578389167786},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3318241238594055},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3107977509498596},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.2238611876964569},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.18248596787452698},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.11180368065834045},{"id":"https://openalex.org/keywords/excited-state","display_name":"Excited state","score":0.08970475196838379}],"concepts":[{"id":"https://openalex.org/C19637589","wikidata":"https://www.wikidata.org/wiki/Q1117940","display_name":"Coupled cluster","level":3,"score":0.6390653848648071},{"id":"https://openalex.org/C186633575","wikidata":"https://www.wikidata.org/wiki/Q845060","display_name":"Maxima and minima","level":2,"score":0.6115632057189941},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.548676073551178},{"id":"https://openalex.org/C2780887139","wikidata":"https://www.wikidata.org/wiki/Q161503","display_name":"1,3-Butadiene","level":3,"score":0.5392504930496216},{"id":"https://openalex.org/C89031862","wikidata":"https://www.wikidata.org/wiki/Q906964","display_name":"Transition state","level":3,"score":0.49772241711616516},{"id":"https://openalex.org/C206175624","wikidata":"https://www.wikidata.org/wiki/Q595731","display_name":"Branching (polymer chemistry)","level":2,"score":0.45145803689956665},{"id":"https://openalex.org/C90673727","wikidata":"https://www.wikidata.org/wiki/Q901718","display_name":"Product (mathematics)","level":2,"score":0.4316929876804352},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.38919055461883545},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38636520504951477},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3746523857116699},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.33640578389167786},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3318241238594055},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3107977509498596},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2238611876964569},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.18248596787452698},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.11180368065834045},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.08970475196838379},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-031-10592-0_19","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-031-10592-0_19","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W605222852","https://openalex.org/W607221727","https://openalex.org/W1982201970","https://openalex.org/W1992208231","https://openalex.org/W1993077801","https://openalex.org/W2000798385","https://openalex.org/W2014767176","https://openalex.org/W2019945657","https://openalex.org/W2024504027","https://openalex.org/W2037365376","https://openalex.org/W2041375561","https://openalex.org/W2055524359","https://openalex.org/W2066410486","https://openalex.org/W2069006374","https://openalex.org/W2069625163","https://openalex.org/W2075118469","https://openalex.org/W2079458939","https://openalex.org/W2079894889","https://openalex.org/W2080900646","https://openalex.org/W2087860811","https://openalex.org/W2089525506","https://openalex.org/W2094225950","https://openalex.org/W2096952626","https://openalex.org/W2112850441","https://openalex.org/W2137115814","https://openalex.org/W2146199590","https://openalex.org/W2289581519","https://openalex.org/W2318205648","https://openalex.org/W2321083436","https://openalex.org/W2321092671","https://openalex.org/W2334496994","https://openalex.org/W2416468401","https://openalex.org/W2471449976","https://openalex.org/W2769387300","https://openalex.org/W2924910310","https://openalex.org/W2942854422","https://openalex.org/W2981894147","https://openalex.org/W3017284665","https://openalex.org/W3094767146","https://openalex.org/W3201058489","https://openalex.org/W4226061477","https://openalex.org/W4240035468"],"related_works":["https://openalex.org/W1967121977","https://openalex.org/W2093014088","https://openalex.org/W2910691279","https://openalex.org/W4252829571","https://openalex.org/W2376213728","https://openalex.org/W2325294546","https://openalex.org/W2062524037","https://openalex.org/W2123044603","https://openalex.org/W2071957499","https://openalex.org/W2046712558"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}