{"id":"https://openalex.org/W4416320855","doi":"https://doi.org/10.2139/ssrn.5765668","title":"DFT studies for ligand modification and proton spillover zeolite supported Rh(CO)2 complex","display_name":"DFT studies for ligand modification and proton spillover zeolite supported Rh(CO)2 complex","publication_year":2025,"publication_date":"2025-01-01","ids":{"openalex":"https://openalex.org/W4416320855","doi":"https://doi.org/10.2139/ssrn.5765668"},"language":"en","primary_location":{"id":"doi:10.2139/ssrn.5765668","doi":"https://doi.org/10.2139/ssrn.5765668","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.5765668","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.2139/ssrn.5765668","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5066360588","display_name":"Vi\u0307ktorya Avi\u0307yente","orcid":"https://orcid.org/0000-0001-9430-4096","observed_orcids":["https://orcid.org/0000-0001-9430-4096"]},"institutions":[{"id":"https://openalex.org/I4405392","display_name":"Bo\u011fazi\u00e7i University","ror":"https://ror.org/03z9tma90","country_code":"TR","type":"education","lineage":["https://openalex.org/I4405392"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Viktorya Aviyente","raw_affiliation_strings":["Bo\u011fazi\u00e7i University","Bo\u011fazi\u00e7i University, Istanbul, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bo\u011fazi\u00e7i University","institution_ids":["https://openalex.org/I4405392"]},{"raw_affiliation_string":"Bo\u011fazi\u00e7i University, Istanbul, Turkey","institution_ids":["https://openalex.org/I4405392"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011636201","display_name":"Deniz Akg\u00fcl","orcid":"https://orcid.org/0000-0003-0706-9003","observed_orcids":["https://orcid.org/0000-0003-0706-9003"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Deniz Akg\u00fcl","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5125343511","display_name":"Halil Bilgin","orcid":"https://orcid.org/0009-0001-9729-437X","observed_orcids":["https://orcid.org/0009-0001-9729-437X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Halil Bilgin","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015016266","display_name":"Yuxin Zhao","orcid":"https://orcid.org/0000-0001-5133-1940","observed_orcids":["https://orcid.org/0000-0001-5133-1940"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yuxin Zhao","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5027960032","display_name":"Alper Uzun","orcid":"https://orcid.org/0000-0001-7024-2900","observed_orcids":["https://orcid.org/0000-0001-7024-2900"]},"institutions":[{"id":"https://openalex.org/I1351752","display_name":"Ko\u00e7 University","ror":"https://ror.org/00jzwgz36","country_code":"TR","type":"education","lineage":["https://openalex.org/I1351752"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Alper Uzun","raw_affiliation_strings":["Ko\u00e7 University","Ko\u00e7 University, Istanbul, 34450, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ko\u00e7 University","institution_ids":["https://openalex.org/I1351752"]},{"raw_affiliation_string":"Ko\u00e7 University, Istanbul, 34450, Turkey","institution_ids":["https://openalex.org/I1351752"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5066360588"],"corresponding_institution_ids":["https://openalex.org/I4405392"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10353","display_name":"Zeolite Catalysis and Synthesis","score":0.5062999725341797,"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"}},"topics":[{"id":"https://openalex.org/T10353","display_name":"Zeolite Catalysis and Synthesis","score":0.5062999725341797,"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/T10192","display_name":"Catalytic Processes in Materials Science","score":0.22439999878406525,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.15299999713897705,"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/ligand-exchange","display_name":"ligand exchange","score":0.8600000143051147},{"id":"https://openalex.org/keywords/rhodium-carbonyl-complexes","display_name":"rhodium carbonyl complexes","score":0.8190000057220459},{"id":"https://openalex.org/keywords/hy-zeolite","display_name":"HY zeolite","score":0.9359999895095825},{"id":"https://openalex.org/keywords/zeolite-supported-metal-catalysts","display_name":"zeolite-supported metal catalysts","score":0.7919999957084656},{"id":"https://openalex.org/keywords/proton-mobility","display_name":"proton mobility","score":0.6759999990463257},{"id":"https://openalex.org/keywords/coordination-environment","display_name":"coordination environment","score":0.5519999861717224},{"id":"https://openalex.org/keywords/ligand-modification","display_name":"ligand modification","score":0.5009999871253967}],"concepts":[{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.8319000005722046},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.7254999876022339},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.6439999938011169},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6359000205993652},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.6227999925613403},{"id":"https://openalex.org/C2778647224","wikidata":"https://www.wikidata.org/wiki/Q1398701","display_name":"Hydrogen spillover","level":3,"score":0.6123999953269958},{"id":"https://openalex.org/C55527203","wikidata":"https://www.wikidata.org/wiki/Q334194","display_name":"Spillover effect","level":2,"score":0.6025000214576721},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.559499979019165},{"id":"https://openalex.org/C2778077586","wikidata":"https://www.wikidata.org/wiki/Q181332","display_name":"Zeolite","level":3,"score":0.5468999743461609},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4124999940395355},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4016999900341034},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3970000147819519},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3855000138282776},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.3815000057220459},{"id":"https://openalex.org/C53323650","wikidata":"https://www.wikidata.org/wiki/Q1118362","display_name":"Proton affinity","level":4,"score":0.35109999775886536},{"id":"https://openalex.org/C2992012372","wikidata":"https://www.wikidata.org/wiki/Q412272","display_name":"Proton transport","level":3,"score":0.3352000117301941},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.26570001244544983},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.2565999925136566},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.25540000200271606}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.2139/ssrn.5765668","doi":"https://doi.org/10.2139/ssrn.5765668","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.5765668","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.2139/ssrn.5765668","doi":"https://doi.org/10.2139/ssrn.5765668","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.5765668","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1966604464","https://openalex.org/W1969555886","https://openalex.org/W1987390963","https://openalex.org/W1988787622","https://openalex.org/W1991149034","https://openalex.org/W1992173555","https://openalex.org/W1992725819","https://openalex.org/W2013906126","https://openalex.org/W2017572700","https://openalex.org/W2033253489","https://openalex.org/W2044894277","https://openalex.org/W2085851010","https://openalex.org/W2098485214","https://openalex.org/W2121256235","https://openalex.org/W2328085681","https://openalex.org/W2330897836","https://openalex.org/W2509655432","https://openalex.org/W2802791016","https://openalex.org/W2893103331","https://openalex.org/W2901940527","https://openalex.org/W2912268077","https://openalex.org/W3048466804","https://openalex.org/W3160102292","https://openalex.org/W3184345861","https://openalex.org/W4225129377","https://openalex.org/W4242512501","https://openalex.org/W4323059139","https://openalex.org/W4376130996","https://openalex.org/W4391887133","https://openalex.org/W4400677021","https://openalex.org/W4406133919","https://openalex.org/W4406558595","https://openalex.org/W4408819613"],"related_works":["https://openalex.org/W2054569314","https://openalex.org/W1789292843","https://openalex.org/W4376130996","https://openalex.org/W1991548841","https://openalex.org/W2119071111","https://openalex.org/W2404098567","https://openalex.org/W226787020","https://openalex.org/W2321275767","https://openalex.org/W190230332","https://openalex.org/W4231381398"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2025-11-18T00:00:00"}
