{"id":"https://openalex.org/W2010183536","doi":"https://doi.org/10.4236/ojg.2015.55023","title":"Influence of Mg2+, Fe2+ and Zn2+ Cations on 13C-18O Bonds in Precipitated Aragonite, Calcite and Dolomite: An ab Initio Study","display_name":"Influence of Mg2+, Fe2+ and Zn2+ Cations on 13C-18O Bonds in Precipitated Aragonite, Calcite and Dolomite: An ab Initio Study","publication_year":2015,"publication_date":"2015-01-01","ids":{"openalex":"https://openalex.org/W2010183536","doi":"https://doi.org/10.4236/ojg.2015.55023","mag":"2010183536"},"language":"en","primary_location":{"id":"doi:10.4236/ojg.2015.55023","doi":"https://doi.org/10.4236/ojg.2015.55023","is_oa":true,"landing_page_url":"https://doi.org/10.4236/ojg.2015.55023","pdf_url":"http://www.scirp.org/journal/PaperDownload.aspx?paperID=56211","source":{"id":"https://openalex.org/S2764901351","display_name":"Open Journal of Geology","issn_l":"2161-7570","issn":["2161-7570","2161-7589"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320480","host_organization_name":"Scientific Research Publishing","host_organization_lineage":["https://openalex.org/P4310320480"],"host_organization_lineage_names":["Scientific Research Publishing"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Open Journal of Geology","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"http://www.scirp.org/journal/PaperDownload.aspx?paperID=56211","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5025314542","display_name":"Jie Yuan","orcid":"https://orcid.org/0000-0002-9639-8273","observed_orcids":["https://orcid.org/0000-0002-9639-8273"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210126061","display_name":"Institute of Geology and Geophysics","ror":"https://ror.org/030vmwa78","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210126061"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jie Yuan","raw_affiliation_strings":["Key Laboratory of Earth and Planetary Physics , Institute of Geology and Geophysics , Chinese Academy of Science , Beijing , China","O C- O CO CO CO 47 C -O C-O C-O CO CO CO C- O CO 12 16 C-O CO CO","Institute of Geology and Geophysics, Chinese Academy of Sciences"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Earth and Planetary Physics , Institute of Geology and Geophysics , Chinese Academy of Science , Beijing , China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210126061"]},{"raw_affiliation_string":"O C- O CO CO CO 47 C -O C-O C-O CO CO CO C- O CO 12 16 C-O CO CO","institution_ids":[]},{"raw_affiliation_string":"Institute of Geology and Geophysics, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210126061"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5025314542"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210126061"],"apc_list":null,"apc_paid":null,"fwci":0.1049,"has_fulltext":true,"cited_by_count":5,"citation_normalized_percentile":{"value":0.36426248,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":"05","issue":"05","first_page":"254","last_page":"267"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11278","display_name":"Calcium Carbonate Crystallization and Inhibition","score":0.357699990272522,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11278","display_name":"Calcium Carbonate Crystallization and Inhibition","score":0.357699990272522,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10017","display_name":"Geology and Paleoclimatology Research","score":0.16359999775886536,"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/T10001","display_name":"Geological and Geochemical Analysis","score":0.12060000002384186,"subfield":{"id":"https://openalex.org/subfields/1906","display_name":"Geochemistry and Petrology"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/carbonate-minerals","display_name":"carbonate minerals","score":0.39500001072883606},{"id":"https://openalex.org/keywords/aragonite","display_name":"aragonite","score":0.9480000138282776},{"id":"https://openalex.org/keywords/calcite","display_name":"calcite","score":1.0},{"id":"https://openalex.org/keywords/dolomite","display_name":"dolomite","score":1.0},{"id":"https://openalex.org/keywords/metal-cations","display_name":"metal cations","score":0.6949999928474426},{"id":"https://openalex.org/keywords/magnesium","display_name":"magnesium","score":0.7369999885559082},{"id":"https://openalex.org/keywords/iron","display_name":"iron","score":0.996999979019165},{"id":"https://openalex.org/keywords/zinc","display_name":"zinc","score":1.0},{"id":"https://openalex.org/keywords/oxygen-isotopes","display_name":"oxygen isotopes","score":0.5910000205039978},{"id":"https://openalex.org/keywords/carbon-isotopes","display_name":"carbon isotopes","score":0.9319999814033508},{"id":"https://openalex.org/keywords/delta47","display_name":"\u039447","score":0.8169999718666077},{"id":"https://openalex.org/keywords/reduced-partition-function-ratio","display_name":"reduced partition function ratio","score":0.7590000033378601},{"id":"https://openalex.org/keywords/temperature-reconstruction","display_name":"temperature reconstruction","score":0.6209999918937683},{"id":"https://openalex.org/keywords/phosphoric-acid","display_name":"phosphoric acid","score":0.7649999856948853},{"id":"https://openalex.org/keywords/co2-degassing","display_name":"CO2 degassing","score":0.8640000224113464}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5479599237442017},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4858510196208954},{"id":"https://openalex.org/C2780191791","wikidata":"https://www.wikidata.org/wiki/Q171917","display_name":"Calcite","level":2,"score":0.46419915556907654},{"id":"https://openalex.org/C2779866092","wikidata":"https://www.wikidata.org/wiki/Q23775","display_name":"Aragonite","level":3,"score":0.46058788895606995},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.38193410634994507},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.3208778500556946},{"id":"https://openalex.org/C199289684","wikidata":"https://www.wikidata.org/wiki/Q83353","display_name":"Mineralogy","level":1,"score":0.20388811826705933},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.4236/ojg.2015.55023","doi":"https://doi.org/10.4236/ojg.2015.55023","is_oa":true,"landing_page_url":"https://doi.org/10.4236/ojg.2015.55023","pdf_url":"http://www.scirp.org/journal/PaperDownload.aspx?paperID=56211","source":{"id":"https://openalex.org/S2764901351","display_name":"Open Journal of Geology","issn_l":"2161-7570","issn":["2161-7570","2161-7589"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320480","host_organization_name":"Scientific Research Publishing","host_organization_lineage":["https://openalex.org/P4310320480"],"host_organization_lineage_names":["Scientific Research Publishing"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Open Journal of Geology","raw_type":"journal-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.894.4118","doi":null,"is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.894.4118","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://file.scirp.org/pdf/OJG_2015051114494322.pdf","raw_type":"text"}],"best_oa_location":{"id":"doi:10.4236/ojg.2015.55023","doi":"https://doi.org/10.4236/ojg.2015.55023","is_oa":true,"landing_page_url":"https://doi.org/10.4236/ojg.2015.55023","pdf_url":"http://www.scirp.org/journal/PaperDownload.aspx?paperID=56211","source":{"id":"https://openalex.org/S2764901351","display_name":"Open Journal of Geology","issn_l":"2161-7570","issn":["2161-7570","2161-7589"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320480","host_organization_name":"Scientific Research Publishing","host_organization_lineage":["https://openalex.org/P4310320480"],"host_organization_lineage_names":["Scientific Research Publishing"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Open Journal of Geology","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G5080151556","display_name":null,"funder_award_id":"41020134003","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G772919723","display_name":"\u4e0a\u5730\u5e54C-H-O-S\u6d41\u4f53\u7269\u7406\u5316\u5b66\u6027\u8d28\u53ca\u5176\u4e0e\u5ca9\u77f3\u6216\u7194\u878d\u4f53\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\uff1a\u591a\u5c3a\u5ea6\u8ba1\u7b97\u673a\u6a21\u62df\u4e0e\u6a21\u578b","funder_award_id":"90914010","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2010183536.pdf","grobid_xml":"https://content.openalex.org/works/W2010183536.grobid-xml"},"referenced_works_count":31,"referenced_works":["https://openalex.org/W154343811","https://openalex.org/W1969393156","https://openalex.org/W1971179254","https://openalex.org/W1971654729","https://openalex.org/W1981745234","https://openalex.org/W2007935173","https://openalex.org/W2008281306","https://openalex.org/W2016396517","https://openalex.org/W2020739396","https://openalex.org/W2022216240","https://openalex.org/W2023928164","https://openalex.org/W2032290584","https://openalex.org/W2034128566","https://openalex.org/W2034456397","https://openalex.org/W2045888443","https://openalex.org/W2046227584","https://openalex.org/W2052278017","https://openalex.org/W2052573265","https://openalex.org/W2074794539","https://openalex.org/W2075339530","https://openalex.org/W2106839072","https://openalex.org/W2118131194","https://openalex.org/W2140488683","https://openalex.org/W2150843657","https://openalex.org/W2150862234","https://openalex.org/W2159821300","https://openalex.org/W2230728100","https://openalex.org/W2313864309","https://openalex.org/W2385435147","https://openalex.org/W2604158060","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W7098101039","https://openalex.org/W2034128566","https://openalex.org/W7097631073","https://openalex.org/W2118131194","https://openalex.org/W2986930436","https://openalex.org/W2553285585","https://openalex.org/W4300773469","https://openalex.org/W2999976417","https://openalex.org/W2140488683","https://openalex.org/W7089773933"],"abstract_inverted_index":{"The":[0,41],"influence":[1,25,160],"of":[2,24,26,43,56,82,107,158,161,166],"metal":[3,142],"cations":[4,31,73,143],"on":[5,32,164],"13C-18O":[6,33],"bonds":[7,34],"in":[8,35,119,144],"carbonates":[9,171],"is":[10],"still":[11],"under":[12],"debate.":[13],"This":[14],"paper":[15],"used":[16,99],"ab":[17],"initio":[18],"method":[19],"to":[20,66,100,127,138,151],"investigate":[21],"this":[22],"kind":[23],"Mg2+,":[27],"Fe2+":[28],"and":[29,39,45,54,92],"Zn2+":[30],"precipitated":[36],"aragonite,":[37,116],"calcite":[38],"dolomite.":[40],"polynomials":[42],"\u039447":[44,77,96,165],"reduced":[46],"partition":[47],"function":[48],"ratios":[49],"(RPFRs)":[50],"for":[51,113],"13/12C,":[52],"14/12C":[53],"18/16O":[55],"these":[57,72],"minerals":[58],"were":[59,98],"given":[60],"within":[61],"temperatures":[62,103],"ranging":[63],"from":[64,169],"260":[65],"1500":[67],"K.":[68],"We":[69,146],"found":[70,148],"that":[71,93,125,149],"significantly":[74],"decreased":[75],"the":[76,80,95,102,105,139,152,155,159],"values":[78,97],"at":[79],"level":[81],"10-3":[83],"-":[84],"10-2":[85],"per":[86],"mil,":[87],"comparing":[88],"with":[89],"pure":[90],"crystals;":[91],"if":[94],"reconstruct":[101],"Ts,":[104],"deviation":[106],"T":[108],"was":[109,123,172],"about":[110],"7.2\u00b0C":[111],"for,":[112],"instance,":[114],"zinc-enriched":[115],"as":[117],"discussed":[118],"our":[120],"paper.":[121],"It":[122],"suggested":[124],"due":[126],"such":[128],"influence,":[129],"researchers":[130],"would":[131],"better":[132],"use":[133],"a":[134],"proper":[135],"thermometer":[136],"according":[137,150],"main":[140],"impurity":[141],"carbonates.":[145],"also":[147],"probability":[153],"theory,":[154],"theoretical":[156],"value":[157],"phosphoric":[162],"acid":[163],"CO2":[167],"degassed":[168],"different":[170],"zero.":[173]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2016,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}