{"id":"https://openalex.org/W2005162716","doi":"https://doi.org/10.1016/j.crci.2008.04.003","title":"Nickel\u2013thiolate and iron\u2013thiolate cyanocarbonyl complexes: Modeling the nickel and iron sites of [NiFe] hydrogenase","display_name":"Nickel\u2013thiolate and iron\u2013thiolate cyanocarbonyl complexes: Modeling the nickel and iron sites of [NiFe] hydrogenase","publication_year":2008,"publication_date":"2008-05-23","ids":{"openalex":"https://openalex.org/W2005162716","doi":"https://doi.org/10.1016/j.crci.2008.04.003","mag":"2005162716"},"language":"en","primary_location":{"id":"doi:10.1016/j.crci.2008.04.003","doi":"https://doi.org/10.1016/j.crci.2008.04.003","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.crci.2008.04.003","pdf_url":null,"source":{"id":"https://openalex.org/S176166730","display_name":"Comptes Rendus Chimie","issn_l":"1631-0748","issn":["1631-0748","1878-1543"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ddh","doaj","dongbi-d","doyens","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4404678052","host_organization_name":"Acad\u00e9mie des sciences","host_organization_lineage":["https://openalex.org/P4404678052"],"host_organization_lineage_names":["Acad\u00e9mie des sciences"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Comptes Rendus. Chimie","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/A5061797877","display_name":"Tzung\u2010Wen Chiou","orcid":"https://orcid.org/0000-0001-9764-1127","observed_orcids":["https://orcid.org/0000-0001-9764-1127"]},"institutions":[{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Tzung-Wen Chiou","raw_affiliation_strings":["Department of Chemistry, National Tsing Hua University, Hsinchu, 30043, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Tsing Hua University, Hsinchu, 30043, Taiwan","institution_ids":["https://openalex.org/I25846049"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5073056697","display_name":"Wen\u2010Feng Liaw","orcid":"https://orcid.org/0000-0001-9949-8344","observed_orcids":["https://orcid.org/0000-0001-9949-8344"]},"institutions":[{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Wen-Feng Liaw","raw_affiliation_strings":["Department of Chemistry, National Tsing Hua University, Hsinchu, 30043, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Tsing Hua University, Hsinchu, 30043, Taiwan","institution_ids":["https://openalex.org/I25846049"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I25846049"],"apc_list":null,"apc_paid":null,"fwci":0.8089,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.62066832,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":95},"biblio":{"volume":"11","issue":"8","first_page":"818","last_page":"833"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":9.999999747378752e-05,"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/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/nife-hydrogenase","display_name":"[NiFe] hydrogenase","score":0.9779999852180481},{"id":"https://openalex.org/keywords/hydrogenase-active-site","display_name":"hydrogenase active site","score":0.7160000205039978},{"id":"https://openalex.org/keywords/catalytic-mechanism","display_name":"catalytic mechanism","score":0.8859999775886536}],"concepts":[{"id":"https://openalex.org/C504270822","wikidata":"https://www.wikidata.org/wiki/Q744","display_name":"Nickel","level":2,"score":0.9420922994613647},{"id":"https://openalex.org/C79115784","wikidata":"https://www.wikidata.org/wiki/Q424135","display_name":"Hydrogenase","level":3,"score":0.7693791389465332},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.7428090572357178},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6240474581718445},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.4476293623447418},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.42395079135894775},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11948651075363159},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.crci.2008.04.003","doi":"https://doi.org/10.1016/j.crci.2008.04.003","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.crci.2008.04.003","pdf_url":null,"source":{"id":"https://openalex.org/S176166730","display_name":"Comptes Rendus Chimie","issn_l":"1631-0748","issn":["1631-0748","1878-1543"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ddh","doaj","dongbi-d","doyens","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4404678052","host_organization_name":"Acad\u00e9mie des sciences","host_organization_lineage":["https://openalex.org/P4404678052"],"host_organization_lineage_names":["Acad\u00e9mie des sciences"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Comptes Rendus. Chimie","raw_type":"journal-article"},{"id":"pmh:oai:centre-mersenne.org:CRCHIM_2008__11_8_818_0","doi":null,"is_oa":false,"landing_page_url":"https://comptes-rendus.academie-sciences.fr/chimie/articles/10.1016/j.crci.2008.04.003/","pdf_url":null,"source":{"id":"https://openalex.org/S176166730","display_name":"Comptes Rendus Chimie","issn_l":"1631-0748","issn":["1631-0748","1878-1543"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ddh","doaj","dongbi-d","doyens","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4404678052","host_organization_name":"Acad\u00e9mie des sciences","host_organization_lineage":["https://openalex.org/P4404678052"],"host_organization_lineage_names":["Acad\u00e9mie des sciences"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":78,"referenced_works":["https://openalex.org/W218058326","https://openalex.org/W980249029","https://openalex.org/W1964409063","https://openalex.org/W1966177471","https://openalex.org/W1969057787","https://openalex.org/W1970064121","https://openalex.org/W1971396352","https://openalex.org/W1975123037","https://openalex.org/W1975165348","https://openalex.org/W1978124878","https://openalex.org/W1982048806","https://openalex.org/W1983925681","https://openalex.org/W1986573994","https://openalex.org/W1988841674","https://openalex.org/W1991515065","https://openalex.org/W1994489204","https://openalex.org/W1999706217","https://openalex.org/W2000393030","https://openalex.org/W2001132271","https://openalex.org/W2001383430","https://openalex.org/W2002535796","https://openalex.org/W2003493449","https://openalex.org/W2009043131","https://openalex.org/W2009162331","https://openalex.org/W2017588146","https://openalex.org/W2021588372","https://openalex.org/W2022071657","https://openalex.org/W2025016549","https://openalex.org/W2028211180","https://openalex.org/W2028232902","https://openalex.org/W2037164347","https://openalex.org/W2039210262","https://openalex.org/W2040403120","https://openalex.org/W2048179590","https://openalex.org/W2049682814","https://openalex.org/W2050145816","https://openalex.org/W2054049918","https://openalex.org/W2058649621","https://openalex.org/W2058978568","https://openalex.org/W2059081508","https://openalex.org/W2061529291","https://openalex.org/W2062443654","https://openalex.org/W2064611102","https://openalex.org/W2065795603","https://openalex.org/W2065860298","https://openalex.org/W2066393455","https://openalex.org/W2067228734","https://openalex.org/W2068115110","https://openalex.org/W2069019874","https://openalex.org/W2072454801","https://openalex.org/W2072985730","https://openalex.org/W2074724924","https://openalex.org/W2079123664","https://openalex.org/W2080669830","https://openalex.org/W2084569188","https://openalex.org/W2086229198","https://openalex.org/W2090832229","https://openalex.org/W2091549471","https://openalex.org/W2091809675","https://openalex.org/W2093550025","https://openalex.org/W2095567028","https://openalex.org/W2097188154","https://openalex.org/W2100942742","https://openalex.org/W2101338394","https://openalex.org/W2104796556","https://openalex.org/W2133941412","https://openalex.org/W2143766385","https://openalex.org/W2154605254","https://openalex.org/W2162882226","https://openalex.org/W2313156856","https://openalex.org/W2328899636","https://openalex.org/W2952451830","https://openalex.org/W3026506360","https://openalex.org/W4230123174","https://openalex.org/W6600404746","https://openalex.org/W6600755281","https://openalex.org/W6604505659","https://openalex.org/W6610040482"],"related_works":["https://openalex.org/W2022574685","https://openalex.org/W2106390879","https://openalex.org/W2594851289","https://openalex.org/W2000393030","https://openalex.org/W4236766730","https://openalex.org/W2951483646","https://openalex.org/W2914197177","https://openalex.org/W2949065270","https://openalex.org/W2111863871","https://openalex.org/W1994489204"],"abstract_inverted_index":{"During":[0],"the":[1,28],"past":[2],"decade,":[3],"structures":[4],"and":[5,20,30,50],"functions":[6],"(catalytic":[7,32],"mechanism)":[8,33],"of":[9,34,37],"[NiFe]/[Fe]":[10,38],"hydrogenases":[11],"have":[12,23],"been":[13,24],"established/proposed.":[14],"Model":[15],"compounds,":[16,45],"various":[17],"biophysical":[18],"measurements":[19],"theoretical":[21],"calculations":[22],"lent":[25],"to":[26],"elucidate":[27],"structure":[29],"function":[31],"active":[35],"sites":[36],"hydrogenases.":[39],"In":[40],"this":[41],"manuscript,":[42],"biomimetic":[43],"model":[44],"including":[46],"iron(II)\u2013thiolate":[47],"cyanocarbonyls,":[48],"nickel(III)\u2013thiolates":[49],"nickel(II)\u2013thiolate":[51],"complexes":[52],"with":[53],"pendant":[54],"thiol,":[55],"are":[56],"presented.":[57]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2016-06-24T00:00:00"}