{"id":"https://openalex.org/W4405963863","doi":"https://doi.org/10.1016/j.jssc.2024.125167","title":"Exploring the Two Step Spin Transition of Fe(Ncbh3)(4phpy)2(M-Bpypz)2 with Ab Initio Calculations","display_name":"Exploring the Two Step Spin Transition of Fe(Ncbh3)(4phpy)2(M-Bpypz)2 with Ab Initio Calculations","publication_year":2024,"publication_date":"2024-01-01","ids":{"openalex":"https://openalex.org/W4405963863","doi":"https://doi.org/10.1016/j.jssc.2024.125167"},"language":"en","primary_location":{"id":"doi:10.1016/j.jssc.2024.125167","doi":"https://doi.org/10.1016/j.jssc.2024.125167","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jssc.2024.125167","pdf_url":null,"source":{"id":"https://openalex.org/S168898714","display_name":"Journal of Solid State Chemistry","issn_l":"0022-4596","issn":["0022-4596","1095-726X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"Journal of Solid State Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://doi.org/10.1016/j.jssc.2024.125167","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5042601769","display_name":"Koussai Lazaar","orcid":"https://orcid.org/0000-0002-6966-2454","observed_orcids":["https://orcid.org/0000-0002-6966-2454"]},"institutions":[{"id":"https://openalex.org/I4210091866","display_name":"Research and Technology Center of Energy","ror":"https://ror.org/00dyead60","country_code":"TN","type":"facility","lineage":["https://openalex.org/I4210091866","https://openalex.org/I4210166358"]}],"countries":["TN"],"is_corresponding":false,"raw_author_name":"Koussai Lazaar","raw_affiliation_strings":["Laboratoire des Nanomat\u00e9riaux et Syst\u00e8mes pour les \u00c9nergies Renouvelables (LaNSER), Centre de Recherches et des Technologies de l\u2019Energie, Technopole Borj-Cedria, Hammam Lif, 2050, Tunisia"],"raw_orcid":"https://orcid.org/0000-0002-6966-2454","affiliations":[{"raw_affiliation_string":"Laboratoire des Nanomat\u00e9riaux et Syst\u00e8mes pour les \u00c9nergies Renouvelables (LaNSER), Centre de Recherches et des Technologies de l\u2019Energie, Technopole Borj-Cedria, Hammam Lif, 2050, Tunisia","institution_ids":["https://openalex.org/I4210091866"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082826996","display_name":"Fatma Aouaini","orcid":"https://orcid.org/0000-0002-8829-2698","observed_orcids":["https://orcid.org/0000-0002-8829-2698","https://orcid.org/0000-0002-9623-2740","https://orcid.org/0000-0002-8491-6651"]},"institutions":[{"id":"https://openalex.org/I106778892","display_name":"Princess Nourah bint Abdulrahman University","ror":"https://ror.org/05b0cyh02","country_code":"SA","type":"education","lineage":["https://openalex.org/I106778892"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Fatma Aouaini","raw_affiliation_strings":["Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia","institution_ids":["https://openalex.org/I106778892"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061870510","display_name":"Fatemah Homoud Alkallas","orcid":"https://orcid.org/0000-0002-4776-4978","observed_orcids":["https://orcid.org/0000-0002-4776-4978"]},"institutions":[{"id":"https://openalex.org/I106778892","display_name":"Princess Nourah bint Abdulrahman University","ror":"https://ror.org/05b0cyh02","country_code":"SA","type":"education","lineage":["https://openalex.org/I106778892"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Fatemah H. Alkallas","raw_affiliation_strings":["Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia","institution_ids":["https://openalex.org/I106778892"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085473140","display_name":"Haifa A. Alyousef","orcid":"https://orcid.org/0000-0003-1727-0958","observed_orcids":["https://orcid.org/0000-0003-1727-0958"]},"institutions":[{"id":"https://openalex.org/I106778892","display_name":"Princess Nourah bint Abdulrahman University","ror":"https://ror.org/05b0cyh02","country_code":"SA","type":"education","lineage":["https://openalex.org/I106778892"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Haifa Alyousef","raw_affiliation_strings":["Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia","institution_ids":["https://openalex.org/I106778892"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5043081460","display_name":"Saber Gueddida\u2225","orcid":"https://orcid.org/0000-0002-9882-2840","observed_orcids":["https://orcid.org/0000-0002-9882-2840","https://orcid.org/0000-0001-8974-0766"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4387156043","display_name":"Laboratoire de Physique et Chimie Th\u00e9oriques","ror":"https://ror.org/02atkd403","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4387156043","https://openalex.org/I90183372"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Saber Gueddida","raw_affiliation_strings":["Univ. Lorraine, LPCT, CNRS UMR7019, F-54506 Vandoeuvre-Les-Nancy, France"],"raw_orcid":"https://orcid.org/0000-0001-8974-0766","affiliations":[{"raw_affiliation_string":"Univ. Lorraine, LPCT, CNRS UMR7019, F-54506 Vandoeuvre-Les-Nancy, France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4387156043"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5043081460"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4387156043"],"apc_list":{"value":3330,"currency":"USD","value_usd":3330},"apc_paid":null,"fwci":0.0779,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.20683735,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":93},"biblio":{"volume":"344","issue":null,"first_page":"125167","last_page":"125167"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10612","display_name":"Magnetism in coordination complexes","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10612","display_name":"Magnetism in coordination complexes","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11758","display_name":"Organic and Molecular Conductors Research","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11682","display_name":"Advanced Condensed Matter Physics","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/spin-crossover","display_name":"spin crossover","score":0.843999981880188},{"id":"https://openalex.org/keywords/binuclear-iron-complexes","display_name":"binuclear iron complexes","score":0.8859999775886536},{"id":"https://openalex.org/keywords/intermediate-spin-state","display_name":"intermediate spin state","score":0.7599999904632568},{"id":"https://openalex.org/keywords/antiferromagnetic-coupling","display_name":"antiferromagnetic coupling","score":0.8970000147819519},{"id":"https://openalex.org/keywords/magnetic-chains","display_name":"magnetic chains","score":0.34700000286102295},{"id":"https://openalex.org/keywords/magnetization-density","display_name":"magnetization density","score":0.6639999747276306},{"id":"https://openalex.org/keywords/molecular-magnetism","display_name":"molecular magnetism","score":0.550000011920929}],"concepts":[{"id":"https://openalex.org/C202629362","wikidata":"https://www.wikidata.org/wiki/Q2078","display_name":"Scalable Vector Graphics","level":2,"score":0.4334329068660736},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4047601819038391},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.3287501633167267},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.3259042799472809},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3007897138595581},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.27045369148254395}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.jssc.2024.125167","doi":"https://doi.org/10.1016/j.jssc.2024.125167","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jssc.2024.125167","pdf_url":null,"source":{"id":"https://openalex.org/S168898714","display_name":"Journal of Solid State Chemistry","issn_l":"0022-4596","issn":["0022-4596","1095-726X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"Journal of Solid State Chemistry","raw_type":"journal-article"},{"id":"doi:10.2139/ssrn.4997944","doi":"https://doi.org/10.2139/ssrn.4997944","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.4997944","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:10.1016/j.jssc.2024.125167","doi":"https://doi.org/10.1016/j.jssc.2024.125167","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jssc.2024.125167","pdf_url":null,"source":{"id":"https://openalex.org/S168898714","display_name":"Journal of Solid State Chemistry","issn_l":"0022-4596","issn":["0022-4596","1095-726X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"Journal of Solid State Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4300622056","display_name":null,"funder_award_id":"44-PRFA-P-66","funder_id":"https://openalex.org/F4320322484","funder_display_name":"Princess Nourah Bint Abdulrahman University"}],"funders":[{"id":"https://openalex.org/F4320322484","display_name":"Princess Nourah Bint Abdulrahman University","ror":"https://ror.org/05b0cyh02"},{"id":"https://openalex.org/F4320335726","display_name":"Deanship of Scientific Research, King Saud University","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":73,"referenced_works":["https://openalex.org/W1558842334","https://openalex.org/W1967036804","https://openalex.org/W1967637823","https://openalex.org/W1968926503","https://openalex.org/W1970127494","https://openalex.org/W1970642387","https://openalex.org/W1981368803","https://openalex.org/W1981384465","https://openalex.org/W1984152912","https://openalex.org/W1986881964","https://openalex.org/W1997884116","https://openalex.org/W2018471238","https://openalex.org/W2029715418","https://openalex.org/W2033274629","https://openalex.org/W2041853267","https://openalex.org/W2042139203","https://openalex.org/W2044591029","https://openalex.org/W2058214407","https://openalex.org/W2064311755","https://openalex.org/W2071823116","https://openalex.org/W2080447728","https://openalex.org/W2083222334","https://openalex.org/W2084278818","https://openalex.org/W2086513155","https://openalex.org/W2088936123","https://openalex.org/W2096216193","https://openalex.org/W2152969498","https://openalex.org/W2153592438","https://openalex.org/W2156127136","https://openalex.org/W2161133220","https://openalex.org/W2276364601","https://openalex.org/W2317929774","https://openalex.org/W2326116636","https://openalex.org/W2380871698","https://openalex.org/W2394911371","https://openalex.org/W2461115542","https://openalex.org/W2510462576","https://openalex.org/W2539088995","https://openalex.org/W2553063140","https://openalex.org/W2594804247","https://openalex.org/W2598146366","https://openalex.org/W2603360340","https://openalex.org/W2769979230","https://openalex.org/W2770672409","https://openalex.org/W2770805138","https://openalex.org/W2793932935","https://openalex.org/W2809560560","https://openalex.org/W2888448546","https://openalex.org/W2915817884","https://openalex.org/W2924254540","https://openalex.org/W2949436959","https://openalex.org/W2989907928","https://openalex.org/W3013964801","https://openalex.org/W3034131332","https://openalex.org/W3034519476","https://openalex.org/W3038681079","https://openalex.org/W3048954346","https://openalex.org/W3128518729","https://openalex.org/W3134856958","https://openalex.org/W3158549950","https://openalex.org/W3176054791","https://openalex.org/W3188434196","https://openalex.org/W3192120410","https://openalex.org/W4221118307","https://openalex.org/W4225134061","https://openalex.org/W4251905006","https://openalex.org/W4319793919","https://openalex.org/W4365513179","https://openalex.org/W4385478938","https://openalex.org/W4388158742","https://openalex.org/W4388209813","https://openalex.org/W4401863000","https://openalex.org/W6858060912"],"related_works":["https://openalex.org/W4365513179","https://openalex.org/W2096216193","https://openalex.org/W437168207","https://openalex.org/W2895681685","https://openalex.org/W1979525510","https://openalex.org/W2159617286","https://openalex.org/W2090309400","https://openalex.org/W2090184570","https://openalex.org/W2046059328","https://openalex.org/W2110661452"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2025-01-01T00:00:00"}