{"id":"https://openalex.org/W2007262355","doi":"https://doi.org/10.1073/pnas.0636832100","title":"Investigation of metal\u2013dithiolate fold angle effects: Implications for molybdenum and tungsten enzymes","display_name":"Investigation of metal\u2013dithiolate fold angle effects: Implications for molybdenum and tungsten enzymes","publication_year":2003,"publication_date":"2003-03-24","ids":{"openalex":"https://openalex.org/W2007262355","doi":"https://doi.org/10.1073/pnas.0636832100","mag":"2007262355","pmid":"https://pubmed.ncbi.nlm.nih.gov/12655066","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/152988"},"language":"en","primary_location":{"id":"doi:10.1073/pnas.0636832100","doi":"https://doi.org/10.1073/pnas.0636832100","is_oa":false,"landing_page_url":"https://doi.org/10.1073/pnas.0636832100","pdf_url":null,"source":{"id":"https://openalex.org/S125754415","display_name":"Proceedings of the National Academy of Sciences","issn_l":"0027-8424","issn":["0027-8424","1091-6490"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","doyens","erih-plus","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320052","host_organization_name":"National Academy of Sciences","host_organization_lineage":["https://openalex.org/P4310320052"],"host_organization_lineage_names":["National Academy of Sciences"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the National Academy of Sciences","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/152988","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5079361519","display_name":"Hemant Joshi","orcid":"https://orcid.org/0000-0002-7616-0241","observed_orcids":["https://orcid.org/0000-0002-7616-0241"]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Hemant K. Joshi","raw_affiliation_strings":["Department of Chemistry, University of Arizona, Tucson, AZ 85721","Department of Chemistry, University of Arizona, Tucson, AZ 85721, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721","institution_ids":["https://openalex.org/I138006243"]},{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721, USA","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053099966","display_name":"J. Jon A. Cooney","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"J. Jon A. Cooney","raw_affiliation_strings":["Department of Chemistry, University of Arizona, Tucson, AZ 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045726141","display_name":"Frank E. Inscore","orcid":"https://orcid.org/0000-0001-5143-291X","observed_orcids":["https://orcid.org/0000-0001-5143-291X"]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Frank E. Inscore","raw_affiliation_strings":["Department of Chemistry, University of Arizona, Tucson, AZ 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009017484","display_name":"Nadine E. Gruhn","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nadine E. Gruhn","raw_affiliation_strings":["Department of Chemistry, University of Arizona, Tucson, AZ 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048787411","display_name":"Dennis L. Lichtenberger","orcid":"https://orcid.org/0000-0002-9271-0311","observed_orcids":["https://orcid.org/0000-0002-9271-0311"]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dennis L. Lichtenberger","raw_affiliation_strings":["Department of Chemistry, University of Arizona, Tucson, AZ 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018957391","display_name":"John H. Enemark","orcid":"https://orcid.org/0000-0002-5272-3652","observed_orcids":["https://orcid.org/0000-0002-5272-3652"]},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"John H. Enemark","raw_affiliation_strings":["Department of Chemistry, University of Arizona, Tucson, AZ 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Arizona, Tucson, AZ 85721","institution_ids":["https://openalex.org/I138006243"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I138006243"],"apc_list":null,"apc_paid":null,"fwci":2.666,"has_fulltext":false,"cited_by_count":95,"citation_normalized_percentile":{"value":0.89700834,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"100","issue":"7","first_page":"3719","last_page":"3724"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.7851999998092651,"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":0.7851999998092651,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.05790000036358833,"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/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.03849999979138374,"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/molybdenum-enzymes","display_name":"molybdenum enzymes","score":0.8730000257492065},{"id":"https://openalex.org/keywords/tungsten-enzymes","display_name":"tungsten enzymes","score":1.0},{"id":"https://openalex.org/keywords/electron-transfer","display_name":"electron transfer","score":0.6259999871253967},{"id":"https://openalex.org/keywords/active-site-regeneration","display_name":"active site regeneration","score":0.8009999990463257},{"id":"https://openalex.org/keywords/ionization-potential","display_name":"ionization potential","score":0.8190000057220459},{"id":"https://openalex.org/keywords/cyclopentadienyl-complexes","display_name":"cyclopentadienyl complexes","score":0.7009999752044678}],"concepts":[{"id":"https://openalex.org/C549387045","wikidata":"https://www.wikidata.org/wiki/Q1053","display_name":"Molybdenum","level":2,"score":0.778045654296875},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7363353967666626},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7183891534805298},{"id":"https://openalex.org/C542268612","wikidata":"https://www.wikidata.org/wiki/Q743","display_name":"Tungsten","level":2,"score":0.579084038734436},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.573108971118927},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.541594922542572},{"id":"https://openalex.org/C175708663","wikidata":"https://www.wikidata.org/wiki/Q899559","display_name":"X-ray photoelectron spectroscopy","level":2,"score":0.5347887873649597},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.49578627943992615},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.48871350288391113},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.4884032607078552},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.488252192735672},{"id":"https://openalex.org/C147192597","wikidata":"https://www.wikidata.org/wiki/Q483769","display_name":"Ionization energy","level":4,"score":0.44871217012405396},{"id":"https://openalex.org/C518881349","wikidata":"https://www.wikidata.org/wiki/Q682","display_name":"Sulfur","level":2,"score":0.44814324378967285},{"id":"https://openalex.org/C38649801","wikidata":"https://www.wikidata.org/wiki/Q107414","display_name":"Valence electron","level":3,"score":0.43991488218307495},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4191969931125641},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.37013936042785645},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3391813635826111},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.2644958198070526},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.20564591884613037},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.19622620940208435},{"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/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","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/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","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":[{"descriptor_ui":"D000445","descriptor_name":"Aldehyde Oxidoreductases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000445","descriptor_name":"Aldehyde Oxidoreductases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007506","descriptor_name":"Iron-Sulfur Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008982","descriptor_name":"Molybdenum","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008982","descriptor_name":"Molybdenum","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010088","descriptor_name":"Oxidoreductases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010088","descriptor_name":"Oxidoreductases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013438","descriptor_name":"Sulfhydryl Compounds","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013438","descriptor_name":"Sulfhydryl Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014414","descriptor_name":"Tungsten","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014414","descriptor_name":"Tungsten","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014968","descriptor_name":"Xanthine Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014968","descriptor_name":"Xanthine Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D042931","descriptor_name":"Aldehyde Oxidase","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D050862","descriptor_name":"Oxidoreductases Acting on Sulfur Group Donors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D050862","descriptor_name":"Oxidoreductases Acting on Sulfur Group Donors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1073/pnas.0636832100","doi":"https://doi.org/10.1073/pnas.0636832100","is_oa":false,"landing_page_url":"https://doi.org/10.1073/pnas.0636832100","pdf_url":null,"source":{"id":"https://openalex.org/S125754415","display_name":"Proceedings of the National Academy of Sciences","issn_l":"0027-8424","issn":["0027-8424","1091-6490"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","doyens","erih-plus","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320052","host_organization_name":"National Academy of Sciences","host_organization_lineage":["https://openalex.org/P4310320052"],"host_organization_lineage_names":["National Academy of Sciences"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the National Academy of Sciences","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:152988","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/152988","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proc Natl Acad Sci U S A","raw_type":"Text"},{"id":"pmid:12655066","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12655066","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the National Academy of Sciences of the United States of America","raw_type":"Journal Article"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:152988","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/152988","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proc Natl Acad Sci U S A","raw_type":"Text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G8380555849","display_name":"Structural Models For Molybdoenzymes","funder_award_id":"R01GM037773","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":56,"referenced_works":["https://openalex.org/W197993986","https://openalex.org/W617180500","https://openalex.org/W1564047174","https://openalex.org/W1583708214","https://openalex.org/W1970321021","https://openalex.org/W1971303889","https://openalex.org/W1978354213","https://openalex.org/W1980261053","https://openalex.org/W1988841674","https://openalex.org/W1993774897","https://openalex.org/W1994595353","https://openalex.org/W1994761756","https://openalex.org/W2003416747","https://openalex.org/W2005639025","https://openalex.org/W2011413203","https://openalex.org/W2017794085","https://openalex.org/W2020114693","https://openalex.org/W2022073730","https://openalex.org/W2023271753","https://openalex.org/W2027475027","https://openalex.org/W2030225192","https://openalex.org/W2037100447","https://openalex.org/W2037947881","https://openalex.org/W2040207081","https://openalex.org/W2042093783","https://openalex.org/W2044269503","https://openalex.org/W2044779828","https://openalex.org/W2044955954","https://openalex.org/W2045245826","https://openalex.org/W2046081922","https://openalex.org/W2049673061","https://openalex.org/W2051026029","https://openalex.org/W2055230539","https://openalex.org/W2061724302","https://openalex.org/W2062113139","https://openalex.org/W2068093798","https://openalex.org/W2068762318","https://openalex.org/W2073276776","https://openalex.org/W2073294992","https://openalex.org/W2086957099","https://openalex.org/W2087753213","https://openalex.org/W2094158782","https://openalex.org/W2098460696","https://openalex.org/W2101537240","https://openalex.org/W2112391574","https://openalex.org/W2136310944","https://openalex.org/W2150345533","https://openalex.org/W2151324716","https://openalex.org/W2369508936","https://openalex.org/W2495042275","https://openalex.org/W2524712889","https://openalex.org/W2937718728","https://openalex.org/W2952816552","https://openalex.org/W4239563346","https://openalex.org/W4245399940","https://openalex.org/W4301880701"],"related_works":["https://openalex.org/W752774182","https://openalex.org/W2035339486","https://openalex.org/W2000289992","https://openalex.org/W3009517896","https://openalex.org/W7099879653","https://openalex.org/W2891368016","https://openalex.org/W2022073730","https://openalex.org/W2107622793","https://openalex.org/W2144290767","https://openalex.org/W2094620728"],"abstract_inverted_index":{"Gas-phase":[0],"photoelectron":[1,80],"spectroscopy":[2],"and":[3,21,46,57,75,88,100,110,131,152],"density":[4,119],"functional":[5,120],"theory":[6],"have":[7],"been":[8],"used":[9],"to":[10,64,136],"investigate":[11],"the":[12,15,30,70,128,141,147],"interactions":[13],"between":[14],"sulfur":[16,89],"pi-orbitals":[17],"of":[18,29,34,69,127,150],"arene":[19],"dithiolates":[20],"high-valent":[22],"transition":[23],"metals":[24],"as":[25],"minimum":[26],"molecular":[27],"models":[28],"active":[31,148],"site":[32],"features":[33],"pyranopterin":[35],"MoW":[36],"enzymes.":[37,154],"The":[38,78,106],"compounds":[39,98],"(Tp*)MoO(bdt)":[40],"(compound":[41,44,48],"1),":[42],"Cp(2)Mo(bdt)":[43],"2),":[45],"Cp(2)Ti(bdt)":[47],"3)":[49],"[where":[50],"Tp*":[51],"is":[52,55,59,134],"hydrotris(3,5-dimethyl-1-pyrazolyl)borate,":[53],"bdt":[54],"1,2-benzenedithiolate,":[56],"Cp":[58],"eta(5)-":[60],"cyclopentadienyl]":[61],"provide":[62],"access":[63],"three":[65],"different":[66],"electronic":[67],"configurations":[68],"metal,":[71],"formally":[72],"d(1),":[73],"d(2),":[74],"d(0),":[76],"respectively.":[77],"gas-phase":[79],"spectra":[81],"show":[82],"that":[83,145],"ionizations":[84],"from":[85],"occupied":[86],"metal":[87,129],"based":[90],"valence":[91],"orbitals":[92,133],"are":[93],"more":[94],"clearly":[95],"observed":[96,107],"in":[97,103,140],"2":[99],"3":[101],"than":[102],"compound":[104],"1.":[105],"ionization":[108],"energies":[109],"characters":[111],"compare":[112],"very":[113],"well":[114],"with":[115],"those":[116],"calculated":[117],"by":[118],"theory.":[121],"A":[122],"\"dithiolate-folding-effect\"":[123],"involving":[124],"an":[125],"interaction":[126],"in-plane":[130],"sulfur-pi":[132],"proposed":[135],"be":[137],"a":[138],"factor":[139],"electron":[142],"transfer":[143],"reactions":[144],"regenerate":[146],"sites":[149],"molybdenum":[151],"tungsten":[153]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":9},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
