{"id":"https://openalex.org/W2885337802","doi":"https://doi.org/10.3233/jcm-180850","title":"DFT calculation and NBO population analysis of the 2, 4, 6-Tri-Phenyl-\u03bb3- Phosphinine dianion","display_name":"DFT calculation and NBO population analysis of the 2, 4, 6-Tri-Phenyl-\u03bb3- Phosphinine dianion","publication_year":2018,"publication_date":"2018-07-31","ids":{"openalex":"https://openalex.org/W2885337802","doi":"https://doi.org/10.3233/jcm-180850","mag":"2885337802"},"language":"en","primary_location":{"id":"doi:10.3233/jcm-180850","is_oa":false,"landing_page_url":"https://doi.org/10.3233/jcm-180850","pdf_url":null,"source":{"id":"https://openalex.org/S2765058733","display_name":"Journal of Computational Methods in Sciences and Engineering","issn_l":"1472-7978","issn":["1472-7978","1875-8983"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Methods in Sciences and Engineering","raw_type":"journal-article"},"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/A5077300935","display_name":"Achour Sadi","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Achour Sadi","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5091213469","display_name":"Ourida Ouamerali","orcid":"https://orcid.org/0000-0001-9182-4360"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ourida Ouamerali","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5077300935"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0883,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.42076147,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"18","issue":"4","first_page":"1045","last_page":"1053"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.9997000098228455,"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/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.9997000098228455,"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/T11748","display_name":"Organophosphorus compounds synthesis","score":0.9997000098228455,"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"}},{"id":"https://openalex.org/T11831","display_name":"Chemical Synthesis and Reactions","score":0.9973999857902527,"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/natural-bond-orbital","display_name":"Natural bond orbital","score":0.919426679611206},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4848007261753082},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4619351625442505},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.09664180874824524}],"concepts":[{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.919426679611206},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4848007261753082},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4619351625442505},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.09664180874824524}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.3233/jcm-180850","is_oa":false,"landing_page_url":"https://doi.org/10.3233/jcm-180850","pdf_url":null,"source":{"id":"https://openalex.org/S2765058733","display_name":"Journal of Computational Methods in Sciences and Engineering","issn_l":"1472-7978","issn":["1472-7978","1875-8983"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Methods in Sciences and Engineering","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":20,"referenced_works":["https://openalex.org/W594943698","https://openalex.org/W2000828198","https://openalex.org/W2010435214","https://openalex.org/W2017109952","https://openalex.org/W2023271753","https://openalex.org/W2030447542","https://openalex.org/W2038767330","https://openalex.org/W2042634200","https://openalex.org/W2044940178","https://openalex.org/W2046216672","https://openalex.org/W2063198004","https://openalex.org/W2068595187","https://openalex.org/W2083576704","https://openalex.org/W2086803729","https://openalex.org/W2095241286","https://openalex.org/W2103710517","https://openalex.org/W2113177247","https://openalex.org/W2148028358","https://openalex.org/W2951471575","https://openalex.org/W4232805357"],"related_works":["https://openalex.org/W2913012422","https://openalex.org/W2771775941","https://openalex.org/W4312209716","https://openalex.org/W2796123998","https://openalex.org/W4308941513","https://openalex.org/W4220823723","https://openalex.org/W2016832462","https://openalex.org/W2606346104","https://openalex.org/W1975111591","https://openalex.org/W2184603123"],"abstract_inverted_index":{"The":[0,13],"molecular":[1],"structure":[2],"of":[3],"the":[4,24],"2,":[5],"4,":[6],"6-Tri-Phenyl-\u03bb":[7],"3":[8],"-Phosphinine":[9],"dianion":[10],"was":[11],"investigated.":[12],"geometric":[14],"parameters":[15],"are":[16],"calculated":[17],"by":[18],"B3LYP":[19],"density":[20],"functional":[21],"model":[22],"using":[23],"6-31G**,":[25],"6-31+G**,":[26],"6-311G**":[27],"and":[28],"6311+G**":[29],"basis":[30],"set,":[31],"resulting":[32],"in":[33],"a":[34],"stable":[35]},"counts_by_year":[{"year":2021,"cited_by_count":1}],"updated_date":"2026-04-22T06:01:30.510260","created_date":"2025-10-10T00:00:00"}