{"id":"https://openalex.org/W4382702351","doi":"https://doi.org/10.1007/978-3-031-37108-0_45","title":"Computational Investigation of\u00a0the\u00a0N($$^2$$D)+ C$$_2$$H$$_4$$ and\u00a0N($$^2$$D)+ CH$$_2$$CHCN Reactions: Benchmark Analysis and\u00a0Implications for\u00a0Titan\u2019s Atmosphere","display_name":"Computational Investigation of\u00a0the\u00a0N($$^2$$D)+ C$$_2$$H$$_4$$ and\u00a0N($$^2$$D)+ CH$$_2$$CHCN Reactions: Benchmark Analysis and\u00a0Implications for\u00a0Titan\u2019s Atmosphere","publication_year":2023,"publication_date":"2023-01-01","ids":{"openalex":"https://openalex.org/W4382702351","doi":"https://doi.org/10.1007/978-3-031-37108-0_45"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-031-37108-0_45","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-031-37108-0_45","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/A5082991374","display_name":"Luca Mancini","orcid":"https://orcid.org/0000-0002-9754-6071"},"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":"Luca Mancini","raw_affiliation_strings":["Dipartimento di Chimica, Biologia e Biotecnologie, Universit\u00e0 degli Studi di Perugia, 06123, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0002-9754-6071","affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica, Biologia e Biotecnologie, Universit\u00e0 degli Studi di Perugia, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049550165","display_name":"Em\u00edlia Valen\u00e7a Ferreira de Arag\u00e3o","orcid":"https://orcid.org/0000-0002-8067-0914"},"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":"Em\u00edlia Valen\u00e7a Ferreira de Arag\u00e3o","raw_affiliation_strings":["Dipartimento di Chimica, Biologia e Biotecnologie, Universit\u00e0 degli Studi di Perugia, 06123, Perugia, Italy","Master-tec srl, Via Sicilia 41, 06128, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0002-8067-0914","affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica, Biologia e Biotecnologie, Universit\u00e0 degli Studi di Perugia, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]},{"raw_affiliation_string":"Master-tec srl, Via Sicilia 41, 06128, Perugia, Italy","institution_ids":[]}]},{"author_position":"last","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":["Dipartimento di Ingegneria Civile ed Ambientale, Universit\u00e0 degli Studi di Perugia, 06125, Perugia, Italy"],"raw_orcid":"https://orcid.org/0000-0002-1264-3877","affiliations":[{"raw_affiliation_string":"Dipartimento di Ingegneria Civile ed Ambientale, Universit\u00e0 degli Studi di Perugia, 06125, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5082991374"],"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":0.2299843,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"705","last_page":"717"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9997000098228455,"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":0.9997000098228455,"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/T11320","display_name":"Atmospheric Ozone and Climate","score":0.9975000023841858,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10523","display_name":"Atomic and Molecular Physics","score":0.9973999857902527,"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/ab-initio","display_name":"Ab initio","score":0.5959385633468628},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"Potential energy surface","score":0.5779451131820679},{"id":"https://openalex.org/keywords/titan","display_name":"Titan (rocket family)","score":0.507569432258606},{"id":"https://openalex.org/keywords/transition-state-theory","display_name":"Transition state theory","score":0.45393526554107666},{"id":"https://openalex.org/keywords/ethylene","display_name":"Ethylene","score":0.43746957182884216},{"id":"https://openalex.org/keywords/excited-state","display_name":"Excited state","score":0.43630844354629517},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.42975351214408875},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.42299988865852356},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.28795063495635986},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.28349149227142334},{"id":"https://openalex.org/keywords/kinetics","display_name":"Kinetics","score":0.15655001997947693},{"id":"https://openalex.org/keywords/reaction-rate-constant","display_name":"Reaction rate constant","score":0.13799703121185303},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1086696982383728},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.09433889389038086}],"concepts":[{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5959385633468628},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.5779451131820679},{"id":"https://openalex.org/C50805821","wikidata":"https://www.wikidata.org/wiki/Q1136670","display_name":"Titan (rocket family)","level":2,"score":0.507569432258606},{"id":"https://openalex.org/C57476982","wikidata":"https://www.wikidata.org/wiki/Q582857","display_name":"Transition state theory","level":4,"score":0.45393526554107666},{"id":"https://openalex.org/C2778597550","wikidata":"https://www.wikidata.org/wiki/Q151313","display_name":"Ethylene","level":3,"score":0.43746957182884216},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.43630844354629517},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.42975351214408875},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.42299988865852356},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.28795063495635986},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.28349149227142334},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.15655001997947693},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.13799703121185303},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1086696982383728},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09433889389038086},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","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:10.1007/978-3-031-37108-0_45","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-031-37108-0_45","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":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.5299999713897705}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W1504277857","https://openalex.org/W1568433506","https://openalex.org/W1572735353","https://openalex.org/W1606758464","https://openalex.org/W1632862684","https://openalex.org/W1671400578","https://openalex.org/W1969749952","https://openalex.org/W1982356449","https://openalex.org/W1982454462","https://openalex.org/W1993077801","https://openalex.org/W2022939605","https://openalex.org/W2024032399","https://openalex.org/W2044066619","https://openalex.org/W2044507210","https://openalex.org/W2045709707","https://openalex.org/W2050792156","https://openalex.org/W2053290328","https://openalex.org/W2066960187","https://openalex.org/W2069006374","https://openalex.org/W2083157656","https://openalex.org/W2083940276","https://openalex.org/W2090008087","https://openalex.org/W2092375115","https://openalex.org/W2092930273","https://openalex.org/W2100894722","https://openalex.org/W2109214912","https://openalex.org/W2121797917","https://openalex.org/W2139057150","https://openalex.org/W2145620958","https://openalex.org/W2148284063","https://openalex.org/W2177252302","https://openalex.org/W2571369326","https://openalex.org/W2593033275","https://openalex.org/W2741276194","https://openalex.org/W2741686871","https://openalex.org/W2765239576","https://openalex.org/W2794399585","https://openalex.org/W2889448167","https://openalex.org/W3017284665","https://openalex.org/W3102297094","https://openalex.org/W3186368633","https://openalex.org/W4240035468","https://openalex.org/W4244176047","https://openalex.org/W4281768087","https://openalex.org/W4289601185","https://openalex.org/W4294237843"],"related_works":["https://openalex.org/W1987398410","https://openalex.org/W2344920126","https://openalex.org/W2086640976","https://openalex.org/W1667991139","https://openalex.org/W2132068786","https://openalex.org/W3014364439","https://openalex.org/W2050110591","https://openalex.org/W2041476221","https://openalex.org/W2012908234","https://openalex.org/W1993273103"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-06-13T06:13:01.061226","created_date":"2025-10-10T00:00:00"}
