{"id":"https://openalex.org/W4235514417","doi":"https://doi.org/10.1002/jcc.20508","title":"Felix Studt, Felix Tuczek, \"Theoretical, spectroscopic, and mechanistic studies on transition\u2010metal dinitrogen complexes: Implications to reactivity and relevance to the nitrogenase problem,\" <i>Journal of Computational Chemistry</i> (2006)27(12) 1278 \u2010 1291.","display_name":"Felix Studt, Felix Tuczek, \"Theoretical, spectroscopic, and mechanistic studies on transition\u2010metal dinitrogen complexes: Implications to reactivity and relevance to the nitrogenase problem,\" <i>Journal of Computational Chemistry</i> (2006)27(12) 1278 \u2010 1291.","publication_year":2006,"publication_date":"2006-07-27","ids":{"openalex":"https://openalex.org/W4235514417","doi":"https://doi.org/10.1002/jcc.20508"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.20508","is_oa":true,"landing_page_url":"https://doi.org/10.1002/jcc.20508","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.20508","source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.20508","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Felix Studt","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Felix Studt","raw_affiliation_strings":["Institut fur Anorganische Chemie , Christian-Albrechts-Universitat Kiel , Otto Hahn Platz 6/7 , 24098 Kiel , Germany"],"affiliations":[{"raw_affiliation_string":"Institut fur Anorganische Chemie , Christian-Albrechts-Universitat Kiel , Otto Hahn Platz 6/7 , 24098 Kiel , Germany","institution_ids":[]}]},{"author_position":"last","author":{"id":null,"display_name":"Felix Tuczek","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Felix Tuczek","raw_affiliation_strings":["Institut fur Anorganische Chemie , Christian-Albrechts-Universitat Kiel , Otto Hahn Platz 6/7 , 24098 Kiel , Germany"],"affiliations":[{"raw_affiliation_string":"Institut fur Anorganische Chemie , Christian-Albrechts-Universitat Kiel , Otto Hahn Platz 6/7 , 24098 Kiel , Germany","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.51408779,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"27","issue":"13","first_page":"1621","last_page":"1621"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12112","display_name":"Ammonia Synthesis and Nitrogen Reduction","score":0.9944000244140625,"subfield":{"id":"https://openalex.org/subfields/1503","display_name":"Catalysis"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.9932000041007996,"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/nitrogenase","display_name":"Nitrogenase","score":0.7462462782859802},{"id":"https://openalex.org/keywords/reactivity","display_name":"Reactivity (psychology)","score":0.7254765629768372},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6380077600479126},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.6230201125144958},{"id":"https://openalex.org/keywords/relevance","display_name":"Relevance (law)","score":0.5807121992111206},{"id":"https://openalex.org/keywords/transition-metal","display_name":"Transition metal","score":0.43352848291397095},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.19300520420074463},{"id":"https://openalex.org/keywords/nitrogen-fixation","display_name":"Nitrogen fixation","score":0.12432849407196045},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.09852641820907593},{"id":"https://openalex.org/keywords/nitrogen","display_name":"Nitrogen","score":0.04664051532745361}],"concepts":[{"id":"https://openalex.org/C141280058","wikidata":"https://www.wikidata.org/wiki/Q410381","display_name":"Nitrogenase","level":4,"score":0.7462462782859802},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.7254765629768372},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6380077600479126},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.6230201125144958},{"id":"https://openalex.org/C158154518","wikidata":"https://www.wikidata.org/wiki/Q7310970","display_name":"Relevance (law)","level":2,"score":0.5807121992111206},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.43352848291397095},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.19300520420074463},{"id":"https://openalex.org/C181440489","wikidata":"https://www.wikidata.org/wiki/Q272467","display_name":"Nitrogen fixation","level":3,"score":0.12432849407196045},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.09852641820907593},{"id":"https://openalex.org/C537208039","wikidata":"https://www.wikidata.org/wiki/Q627","display_name":"Nitrogen","level":2,"score":0.04664051532745361},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/jcc.20508","is_oa":true,"landing_page_url":"https://doi.org/10.1002/jcc.20508","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.20508","source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1002/jcc.20508","is_oa":true,"landing_page_url":"https://doi.org/10.1002/jcc.20508","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.20508","source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4235514417.pdf","grobid_xml":"https://content.openalex.org/works/W4235514417.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W3019727282","https://openalex.org/W4389230211","https://openalex.org/W4389440024","https://openalex.org/W101648663","https://openalex.org/W1999453713","https://openalex.org/W170370366","https://openalex.org/W1673869413","https://openalex.org/W1607646953","https://openalex.org/W4239805027","https://openalex.org/W4221072630"],"abstract_inverted_index":{"Abstract":[0],"The":[1],"original":[2],"article":[3],"to":[4],"which":[5],"this":[6],"erratum":[7],"refers":[8],"was":[9],"published":[10],"in":[11],"Journal":[12],"of":[13],"Computational":[14],"Chemistry":[15],"J":[16],"Comput":[17],"Chem":[18],"(27)":[19],"27(12)":[20],"1278":[21],".":[22]},"counts_by_year":[],"updated_date":"2026-01-09T06:25:30.743933","created_date":"2025-10-10T00:00:00"}