{"id":"https://openalex.org/W3199508067","doi":"https://doi.org/10.1007/978-3-030-86976-2_42","title":"A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene","display_name":"A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene","publication_year":2021,"publication_date":"2021-01-01","ids":{"openalex":"https://openalex.org/W3199508067","doi":"https://doi.org/10.1007/978-3-030-86976-2_42","mag":"3199508067"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-030-86976-2_42","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-030-86976-2_42","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/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, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Civil and Environmental Engineering, University of Perugia, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017358294","display_name":"Stefano Falcinelli","orcid":"https://orcid.org/0000-0002-5301-6730"},"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":"Stefano Falcinelli","raw_affiliation_strings":["Department of Civil and Environmental Engineering, University of Perugia, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Civil and Environmental Engineering, University of Perugia, 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 Biotechnologies, University of di Perugia, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","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 Biotechnologies, University of di Perugia, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079712506","display_name":"Pedro Recio","orcid":"https://orcid.org/0000-0002-4867-2872"},"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":"Pedro Recio","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045677863","display_name":"Adriana Caracciolo","orcid":"https://orcid.org/0000-0002-2588-7627"},"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":"Adriana Caracciolo","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","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":false,"raw_author_name":"Gianmarco Vanuzzo","raw_affiliation_strings":["Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnologies, University of di Perugia, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045082551","display_name":"Dimitrios Skouteris","orcid":"https://orcid.org/0000-0002-4741-5866"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Dimitrios Skouteris","raw_affiliation_strings":["Master-Tec, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Master-Tec, Perugia, Italy","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003627178","display_name":"Carlo Cavallotti","orcid":"https://orcid.org/0000-0002-9229-1401"},"institutions":[{"id":"https://openalex.org/I93860229","display_name":"Politecnico di Milano","ror":"https://ror.org/01nffqt88","country_code":"IT","type":"education","lineage":["https://openalex.org/I93860229"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Carlo Cavallotti","raw_affiliation_strings":["Department of Chemistry, Materials and Chemical Engineering, Politecnico di Milano, Milano, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Materials and Chemical Engineering, Politecnico di Milano, Milano, Italy","institution_ids":["https://openalex.org/I93860229"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":11.025,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.98141986,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"620","last_page":"631"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998000264167786,"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":0.9998000264167786,"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/T10913","display_name":"Molecular Junctions and Nanostructures","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9973000288009644,"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/toluene","display_name":"Toluene","score":0.8132498860359192},{"id":"https://openalex.org/keywords/excited-state","display_name":"Excited state","score":0.7808977365493774},{"id":"https://openalex.org/keywords/nitrogen","display_name":"Nitrogen","score":0.6271777153015137},{"id":"https://openalex.org/keywords/ground-state","display_name":"Ground state","score":0.5444453954696655},{"id":"https://openalex.org/keywords/oxygen","display_name":"Oxygen","score":0.5334449410438538},{"id":"https://openalex.org/keywords/oxygen-atom","display_name":"Oxygen atom","score":0.501518726348877},{"id":"https://openalex.org/keywords/state","display_name":"State (computer science)","score":0.4442586600780487},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4440721869468689},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"Electronic structure","score":0.4415878653526306},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.43727195262908936},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.4165351986885071},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.3349592089653015},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.32090216875076294},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3050079345703125},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.2838418781757355},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.2127358317375183},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.19898781180381775},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.05399829149246216}],"concepts":[{"id":"https://openalex.org/C2778142098","wikidata":"https://www.wikidata.org/wiki/Q15779","display_name":"Toluene","level":2,"score":0.8132498860359192},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.7808977365493774},{"id":"https://openalex.org/C537208039","wikidata":"https://www.wikidata.org/wiki/Q627","display_name":"Nitrogen","level":2,"score":0.6271777153015137},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.5444453954696655},{"id":"https://openalex.org/C540031477","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen","level":2,"score":0.5334449410438538},{"id":"https://openalex.org/C2994492776","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen atom","level":3,"score":0.501518726348877},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.4442586600780487},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4440721869468689},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4415878653526306},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.43727195262908936},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.4165351986885071},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3349592089653015},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.32090216875076294},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3050079345703125},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2838418781757355},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.2127358317375183},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.19898781180381775},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.05399829149246216}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/978-3-030-86976-2_42","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-030-86976-2_42","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"},{"id":"pmh:oai:re.public.polimi.it:11311/1203924","is_oa":false,"landing_page_url":"http://hdl.handle.net/11311/1203924","pdf_url":null,"source":{"id":"https://openalex.org/S4306400312","display_name":"Virtual Community of Pathological Anatomy (University of Castilla La Mancha)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I79189158","host_organization_name":"University of Castilla-La Mancha","host_organization_lineage":["https://openalex.org/I79189158"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/conferenceObject"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W1492122252","https://openalex.org/W1671400578","https://openalex.org/W1818242873","https://openalex.org/W1971275758","https://openalex.org/W1980021326","https://openalex.org/W1986047194","https://openalex.org/W1986309988","https://openalex.org/W1993569994","https://openalex.org/W1995134790","https://openalex.org/W1997542682","https://openalex.org/W1999924537","https://openalex.org/W2000798385","https://openalex.org/W2014767176","https://openalex.org/W2020227198","https://openalex.org/W2023232960","https://openalex.org/W2031856796","https://openalex.org/W2049996223","https://openalex.org/W2069006374","https://openalex.org/W2079458939","https://openalex.org/W2082635487","https://openalex.org/W2083940276","https://openalex.org/W2089369181","https://openalex.org/W2090008087","https://openalex.org/W2092375115","https://openalex.org/W2092930273","https://openalex.org/W2101263707","https://openalex.org/W2112850441","https://openalex.org/W2116023292","https://openalex.org/W2130264785","https://openalex.org/W2143981217","https://openalex.org/W2148284063","https://openalex.org/W2149751608","https://openalex.org/W2177252302","https://openalex.org/W2179840502","https://openalex.org/W2321092671","https://openalex.org/W2321362268","https://openalex.org/W2326492152","https://openalex.org/W2334496994","https://openalex.org/W2501759264","https://openalex.org/W2593033275","https://openalex.org/W2632693588","https://openalex.org/W2810344567","https://openalex.org/W2935061839","https://openalex.org/W2946552866","https://openalex.org/W2949464581","https://openalex.org/W2950396846","https://openalex.org/W2953812331","https://openalex.org/W2981894147","https://openalex.org/W3089985066","https://openalex.org/W3121892507","https://openalex.org/W3157696255","https://openalex.org/W4233965423","https://openalex.org/W4238196539","https://openalex.org/W4244176047","https://openalex.org/W4293208197"],"related_works":["https://openalex.org/W2079500102","https://openalex.org/W2370179332","https://openalex.org/W2316998258","https://openalex.org/W1984298974","https://openalex.org/W2055437593","https://openalex.org/W769651334","https://openalex.org/W2059124214","https://openalex.org/W2098281034","https://openalex.org/W2320241848","https://openalex.org/W1992607109"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1}],"updated_date":"2026-07-03T08:13:44.112507","created_date":"2025-10-10T00:00:00"}
