{"id":"https://openalex.org/W4390920144","doi":"https://doi.org/10.1016/j.molstruc.2024.137577","title":"1,2,4-triazole-5-thione derivative for inhibiting carbon steel corrosion in 1M HCl: Synthesis, electrochemical, SEM/EDX, DFT, and MD investigations","display_name":"1,2,4-triazole-5-thione derivative for inhibiting carbon steel corrosion in 1M HCl: Synthesis, electrochemical, SEM/EDX, DFT, and MD investigations","publication_year":2024,"publication_date":"2024-01-15","ids":{"openalex":"https://openalex.org/W4390920144","doi":"https://doi.org/10.1016/j.molstruc.2024.137577"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2024.137577","doi":"https://doi.org/10.1016/j.molstruc.2024.137577","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2024.137577","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5075039332","display_name":"Malak Rehioui","orcid":"https://orcid.org/0000-0001-7833-6426","observed_orcids":["https://orcid.org/0000-0001-7833-6426"]},"institutions":[{"id":"https://openalex.org/I3121676899","display_name":"Universit\u00e9 Ibn-Tofail","ror":"https://ror.org/02wj89n04","country_code":"MA","type":"education","lineage":["https://openalex.org/I3121676899"]}],"countries":["MA"],"is_corresponding":true,"raw_author_name":"Malak Rehioui","raw_affiliation_strings":["Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","institution_ids":["https://openalex.org/I3121676899"]},{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco","institution_ids":["https://openalex.org/I3121676899"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036137079","display_name":"Fatima Lazrak","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I126477371","display_name":"Mohammed V University","ror":"https://ror.org/00r8w8f84","country_code":"MA","type":"education","lineage":["https://openalex.org/I126477371"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Fatima Lazrak","raw_affiliation_strings":["Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat 10106, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat 10106, Morocco","institution_ids":["https://openalex.org/I126477371"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083914789","display_name":"Sanae Lahmidi","orcid":"https://orcid.org/0000-0002-8846-1148","observed_orcids":["https://orcid.org/0000-0002-8846-1148"]},"institutions":[{"id":"https://openalex.org/I126477371","display_name":"Mohammed V University","ror":"https://ror.org/00r8w8f84","country_code":"MA","type":"education","lineage":["https://openalex.org/I126477371"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Sanae Lahmidi","raw_affiliation_strings":["Laboratory of Heterocyclic Organic Chemistry Department of Chemistry, Faculty of Sciences, Mohammed V University, Rabat 10106, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Heterocyclic Organic Chemistry Department of Chemistry, Faculty of Sciences, Mohammed V University, Rabat 10106, Morocco","institution_ids":["https://openalex.org/I126477371"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5093689821","display_name":"Saad Benmekki","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I3121676899","display_name":"Universit\u00e9 Ibn-Tofail","ror":"https://ror.org/02wj89n04","country_code":"MA","type":"education","lineage":["https://openalex.org/I3121676899"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Saad Benmekki","raw_affiliation_strings":["Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","institution_ids":["https://openalex.org/I3121676899"]},{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco","institution_ids":["https://openalex.org/I3121676899"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043387498","display_name":"Wafaa S. Abo El\u2010Yazeed","orcid":"https://orcid.org/0000-0002-0992-5080","observed_orcids":["https://orcid.org/0000-0002-0992-5080"]},"institutions":[{"id":"https://openalex.org/I142608572","display_name":"Prince Sattam Bin Abdulaziz University","ror":"https://ror.org/04jt46d36","country_code":"SA","type":"education","lineage":["https://openalex.org/I142608572"]},{"id":"https://openalex.org/I159247623","display_name":"Mansoura University","ror":"https://ror.org/01k8vtd75","country_code":"EG","type":"education","lineage":["https://openalex.org/I159247623"]}],"countries":["EG","SA"],"is_corresponding":false,"raw_author_name":"Wafaa S. Abo El-Yazeed","raw_affiliation_strings":["Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt","Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt","institution_ids":["https://openalex.org/I159247623"]},{"raw_affiliation_string":"Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia","institution_ids":["https://openalex.org/I142608572"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041690609","display_name":"El Hassane Anouar","orcid":"https://orcid.org/0000-0001-9240-7163","observed_orcids":["https://orcid.org/0000-0001-9240-7163"]},"institutions":[{"id":"https://openalex.org/I142608572","display_name":"Prince Sattam Bin Abdulaziz University","ror":"https://ror.org/04jt46d36","country_code":"SA","type":"education","lineage":["https://openalex.org/I142608572"]}],"countries":["SA"],"is_corresponding":true,"raw_author_name":"El Hassane Anouar","raw_affiliation_strings":["Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia","institution_ids":["https://openalex.org/I142608572"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053595987","display_name":"H. Erramli","orcid":"https://orcid.org/0000-0001-5367-4787","observed_orcids":["https://orcid.org/0000-0001-5367-4787"]},"institutions":[{"id":"https://openalex.org/I3121676899","display_name":"Universit\u00e9 Ibn-Tofail","ror":"https://ror.org/02wj89n04","country_code":"MA","type":"education","lineage":["https://openalex.org/I3121676899"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Hamid Erramli","raw_affiliation_strings":["Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","institution_ids":["https://openalex.org/I3121676899"]},{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco","institution_ids":["https://openalex.org/I3121676899"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056074652","display_name":"Najat Hajjaji","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I3121676899","display_name":"Universit\u00e9 Ibn-Tofail","ror":"https://ror.org/02wj89n04","country_code":"MA","type":"education","lineage":["https://openalex.org/I3121676899"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Najat Hajjaji","raw_affiliation_strings":["Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, Morocco","institution_ids":["https://openalex.org/I3121676899"]},{"raw_affiliation_string":"Laboratory of Organic Chemistry, Catalysis and Environment, Chemistry Department, Faculty of Sciences, Ibn Tofail University, BP 133, Kenitra 14000, Morocco","institution_ids":["https://openalex.org/I3121676899"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5041690609","https://openalex.org/A5075039332"],"corresponding_institution_ids":["https://openalex.org/I142608572","https://openalex.org/I3121676899"],"apc_list":{"value":3570,"currency":"USD","value_usd":3570},"apc_paid":null,"fwci":3.4993,"has_fulltext":false,"cited_by_count":40,"citation_normalized_percentile":{"value":0.95010363,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"1303","issue":null,"first_page":"137577","last_page":"137577"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10310","display_name":"Corrosion Behavior and Inhibition","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T10310","display_name":"Corrosion Behavior and Inhibition","score":1.0,"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/T12086","display_name":"Structural Integrity and Reliability Analysis","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.0,"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/corrosion-inhibition","display_name":"corrosion inhibition","score":0.7960000038146973},{"id":"https://openalex.org/keywords/carbon-steel","display_name":"carbon steel","score":0.9729999899864197},{"id":"https://openalex.org/keywords/hydrochloric-acid-corrosion","display_name":"hydrochloric acid corrosion","score":0.906000018119812},{"id":"https://openalex.org/keywords/mixed-inhibition","display_name":"mixed-type inhibition","score":0.7799999713897705},{"id":"https://openalex.org/keywords/langmuir-isotherm","display_name":"Langmuir isotherm","score":0.9729999899864197},{"id":"https://openalex.org/keywords/adsorption-on-metal-surfaces","display_name":"adsorption on metal surfaces","score":0.6990000009536743},{"id":"https://openalex.org/keywords/inhibitor-adsorption-mechanism","display_name":"inhibitor adsorption mechanism","score":0.6499999761581421},{"id":"https://openalex.org/keywords/dft-calculations","display_name":"DFT calculations","score":0.7229999899864197},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.7639999985694885}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8822475671768188},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.7593724727630615},{"id":"https://openalex.org/C7040849","wikidata":"https://www.wikidata.org/wiki/Q899580","display_name":"Dielectric spectroscopy","level":4,"score":0.7243897914886475},{"id":"https://openalex.org/C2778560533","wikidata":"https://www.wikidata.org/wiki/Q967996","display_name":"Carbon steel","level":3,"score":0.6843029260635376},{"id":"https://openalex.org/C52859227","wikidata":"https://www.wikidata.org/wiki/Q7877","display_name":"Electrochemistry","level":3,"score":0.6764869689941406},{"id":"https://openalex.org/C20625102","wikidata":"https://www.wikidata.org/wiki/Q137056","display_name":"Corrosion","level":2,"score":0.6720923185348511},{"id":"https://openalex.org/C12143843","wikidata":"https://www.wikidata.org/wiki/Q6486358","display_name":"Langmuir adsorption model","level":3,"score":0.6253468990325928},{"id":"https://openalex.org/C26771246","wikidata":"https://www.wikidata.org/wiki/Q321095","display_name":"Scanning electron microscope","level":2,"score":0.5901521444320679},{"id":"https://openalex.org/C13965031","wikidata":"https://www.wikidata.org/wiki/Q243545","display_name":"Nuclear chemistry","level":1,"score":0.45087477564811707},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.42667150497436523},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.42451030015945435},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.38105514645576477},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2792496085166931},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.19220876693725586},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.16382670402526855},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.10688090324401855},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.07679560780525208},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.06869903206825256}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2024.137577","doi":"https://doi.org/10.1016/j.molstruc.2024.137577","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2024.137577","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G136437872","display_name":null,"funder_award_id":"PSAU /2023/R/1445","funder_id":"https://openalex.org/F4320311227","funder_display_name":"Prince Sattam bin Abdulaziz University"}],"funders":[{"id":"https://openalex.org/F4320311227","display_name":"Prince Sattam bin Abdulaziz University","ror":"https://ror.org/04jt46d36"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1572721812","https://openalex.org/W1963737263","https://openalex.org/W1965173894","https://openalex.org/W2008708918","https://openalex.org/W2014261167","https://openalex.org/W2044361830","https://openalex.org/W2068559689","https://openalex.org/W2084086222","https://openalex.org/W2514908494","https://openalex.org/W2781722976","https://openalex.org/W2901476224","https://openalex.org/W2901756600","https://openalex.org/W2969709519","https://openalex.org/W2972980101","https://openalex.org/W2980239453","https://openalex.org/W3003259055","https://openalex.org/W3034135735","https://openalex.org/W3040834755","https://openalex.org/W3045858419","https://openalex.org/W3085811442","https://openalex.org/W3087960359","https://openalex.org/W3114480348","https://openalex.org/W3135402124","https://openalex.org/W3156343652","https://openalex.org/W3173103134","https://openalex.org/W3176077813","https://openalex.org/W3202325891","https://openalex.org/W3205972567","https://openalex.org/W3212047776","https://openalex.org/W3213319627","https://openalex.org/W3214638287","https://openalex.org/W4200481456","https://openalex.org/W4214870869","https://openalex.org/W4290973967","https://openalex.org/W4293294474","https://openalex.org/W4313419342","https://openalex.org/W4319320129","https://openalex.org/W4320728436","https://openalex.org/W4362589798","https://openalex.org/W4366977205","https://openalex.org/W4372227617","https://openalex.org/W4381468269","https://openalex.org/W4384300929"],"related_works":["https://openalex.org/W2901865078","https://openalex.org/W3006013577","https://openalex.org/W4389668544","https://openalex.org/W3185517984","https://openalex.org/W4391973147","https://openalex.org/W3177063382","https://openalex.org/W7147477774","https://openalex.org/W2064731050","https://openalex.org/W4367043473","https://openalex.org/W2946006335"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":13},{"year":2025,"cited_by_count":14},{"year":2024,"cited_by_count":13}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2024-01-17T00:00:00"}