{"id":"https://openalex.org/W2050835665","doi":"https://doi.org/10.1021/om00130a008","title":"MNDO calculations for compounds containing mercury","display_name":"MNDO calculations for compounds containing mercury","publication_year":1985,"publication_date":"1985-11-01","ids":{"openalex":"https://openalex.org/W2050835665","doi":"https://doi.org/10.1021/om00130a008","mag":"2050835665"},"language":"en","primary_location":{"id":"doi:10.1021/om00130a008","doi":"https://doi.org/10.1021/om00130a008","is_oa":false,"landing_page_url":"https://doi.org/10.1021/om00130a008","pdf_url":null,"source":{"id":"https://openalex.org/S4924609","display_name":"Organometallics","issn_l":"0276-7333","issn":["0276-7333","1520-6041"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-1","norway-2","poland-100","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Organometallics","raw_type":"journal-article"},"volume":null,"type":"article","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/A5109936519","display_name":"Michael J. S. Dewar","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I86519309","display_name":"The University of Texas at Austin","ror":"https://ror.org/00hj54h04","country_code":"US","type":"education","lineage":["https://openalex.org/I86519309"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael J. S. Dewar","raw_affiliation_strings":["University of Texas at Austin#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas at Austin#TAB#","institution_ids":["https://openalex.org/I86519309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009806202","display_name":"Gilbert L. Grady","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Gilbert L. Grady","raw_affiliation_strings":["University of Toronto"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Toronto","institution_ids":["https://openalex.org/I185261750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085994852","display_name":"Kenneth M. Merz","orcid":"https://orcid.org/0000-0001-9139-5893","observed_orcids":["https://orcid.org/0000-0001-9139-5893"]},"institutions":[{"id":"https://openalex.org/I86519309","display_name":"The University of Texas at Austin","ror":"https://ror.org/00hj54h04","country_code":"US","type":"education","lineage":["https://openalex.org/I86519309"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kenneth M. Merz","raw_affiliation_strings":["University of Texas at Austin#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas at Austin#TAB#","institution_ids":["https://openalex.org/I86519309"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060242817","display_name":"James J. P. Stewart","orcid":"https://orcid.org/0000-0001-6280-8695","observed_orcids":["https://orcid.org/0000-0001-6280-8695"]},"institutions":[{"id":"https://openalex.org/I181647926","display_name":"University of Strathclyde","ror":"https://ror.org/00n3w3b69","country_code":"GB","type":"education","lineage":["https://openalex.org/I181647926"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"James J. P. Stewart","raw_affiliation_strings":["University of Strathclyde"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Strathclyde","institution_ids":["https://openalex.org/I181647926"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.9064,"has_fulltext":false,"cited_by_count":48,"citation_normalized_percentile":{"value":0.84717019,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"4","issue":"11","first_page":"1964","last_page":"1966"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.86080002784729,"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":0.86080002784729,"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/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.06849999725818634,"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"}},{"id":"https://openalex.org/T11746","display_name":"Inorganic and Organometallic Chemistry","score":0.01979999989271164,"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/mercury-compounds","display_name":"mercury compounds","score":0.859000027179718},{"id":"https://openalex.org/keywords/organomercury-compounds","display_name":"organomercury compounds","score":0.6610000133514404},{"id":"https://openalex.org/keywords/mndo","display_name":"MNDO","score":0.8169999718666077},{"id":"https://openalex.org/keywords/semiempirical-quantum-chemistry","display_name":"semiempirical quantum chemistry","score":0.6010000109672546},{"id":"https://openalex.org/keywords/molecular-orbital-calculations","display_name":"molecular orbital calculations","score":0.47600001096725464}],"concepts":[{"id":"https://openalex.org/C2778805511","wikidata":"https://www.wikidata.org/wiki/Q1713","display_name":"Citation","level":2,"score":0.6955442428588867},{"id":"https://openalex.org/C2778407487","wikidata":"https://www.wikidata.org/wiki/Q14565201","display_name":"Altmetrics","level":2,"score":0.5753167867660522},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.49260860681533813},{"id":"https://openalex.org/C518677369","wikidata":"https://www.wikidata.org/wiki/Q202833","display_name":"Social media","level":2,"score":0.4731222987174988},{"id":"https://openalex.org/C2778447006","wikidata":"https://www.wikidata.org/wiki/Q1156474","display_name":"Icon","level":2,"score":0.4154272675514221},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.39292043447494507},{"id":"https://openalex.org/C161191863","wikidata":"https://www.wikidata.org/wiki/Q199655","display_name":"Library science","level":1,"score":0.3547748625278473},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.2930888533592224},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/om00130a008","doi":"https://doi.org/10.1021/om00130a008","is_oa":false,"landing_page_url":"https://doi.org/10.1021/om00130a008","pdf_url":null,"source":{"id":"https://openalex.org/S4924609","display_name":"Organometallics","issn_l":"0276-7333","issn":["0276-7333","1520-6041"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-a","jufo-1","norway-2","poland-100","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Organometallics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2065954260","https://openalex.org/W2614756434","https://openalex.org/W2464739138","https://openalex.org/W50803463","https://openalex.org/W2067330461","https://openalex.org/W1982662696","https://openalex.org/W2038190904","https://openalex.org/W1997546417","https://openalex.org/W1973451464","https://openalex.org/W2010224852"],"abstract_inverted_index":{"ADVERTISEMENT":[0],"RETURN":[1],"TO":[2],"ISSUEPREVArticleNEXTMNDO":[3],"calculations":[4],"for":[5,148],"compounds":[6],"containing":[7],"mercuryMichael":[8],"J.":[9,21],"S.":[10],"Dewar,":[11],"Gilbert":[12],"L.":[13],"Grady,":[14],"Kenneth":[15],"M.":[16],"Merz":[17],"Jr.,":[18],"and":[19,65,70,99,143,160,176,178],"James":[20],"P.":[22],"StewartCite":[23],"this:":[24],"Organometallics":[25],"1985,":[26],"4,":[27],"11,":[28],"1964\u20131966Publication":[29],"Date":[30],"(Print):November":[31],"1,":[32],"1985Publication":[33],"History":[34],"Published":[35],"online1":[36],"May":[37],"2002Published":[38],"inissue":[39],"1":[40],"November":[41,61],"1985https://pubs.acs.org/doi/10.1021/om00130a008https://doi.org/10.1021/om00130a008research-articleACS":[42],"PublicationsRequest":[43],"reuse":[44],"permissionsArticle":[45],"Views85Altmetric-Citations46LEARN":[46],"ABOUT":[47],"THESE":[48],"METRICSArticle":[49],"Views":[50],"are":[51,74,87],"the":[52,83,88,117,128,141,144,149,156,162],"COUNTER-compliant":[53],"sum":[54],"of":[55,90,116],"full":[56],"text":[57],"article":[58,122],"downloads":[59],"since":[60],"2008":[62],"(both":[63],"PDF":[64],"HTML)":[66],"across":[67],"all":[68],"institutions":[69],"individuals.":[71],"These":[72],"metrics":[73],"regularly":[75],"updated":[76,100],"to":[77,82],"reflect":[78],"usage":[79],"leading":[80],"up":[81],"last":[84],"few":[85],"days.Citations":[86],"number":[89],"other":[91],"articles":[92],"citing":[93],"this":[94],"article,":[95],"calculated":[96],"by":[97],"Crossref":[98,106],"daily.":[101],"Find":[102,152],"more":[103,153],"information":[104,154],"about":[105,140],"citation":[107],"counts.The":[108],"Altmetric":[109,157],"Attention":[110,158],"Score":[111,159],"is":[112,164],"a":[113,120,133],"quantitative":[114],"measure":[115],"attention":[118],"that":[119],"research":[121],"has":[123],"received":[124],"online.":[125],"Clicking":[126],"on":[127,155],"donut":[129],"icon":[130],"will":[131],"load":[132],"page":[134],"at":[135],"altmetric.com":[136],"with":[137,172],"additional":[138],"details":[139],"score":[142,163],"social":[145],"media":[146],"presence":[147],"given":[150],"article.":[151],"how":[161],"calculated.":[165],"Share":[166,181],"Add":[167],"toView":[168],"InAdd":[169],"Full":[170],"Text":[171],"ReferenceAdd":[173],"Description":[174],"ExportRISCitationCitation":[175],"abstractCitation":[177],"referencesMore":[179],"Options":[180],"onFacebookTwitterWechatLinked":[182],"InRedditEmail":[183],"Other":[184],"access":[185],"optionsGet":[186],"e-Alertsclose":[187],"Get":[188],"e-Alerts":[189]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2017,"cited_by_count":1}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2016-06-24T00:00:00"}