{"id":"https://openalex.org/W2019469789","doi":"https://doi.org/10.1016/s0097-8485(97)00023-5","title":"Computational evidence of complexes in structural models of melts deriving from neutron diffraction data","display_name":"Computational evidence of complexes in structural models of melts deriving from neutron diffraction data","publication_year":1997,"publication_date":"1997-01-01","ids":{"openalex":"https://openalex.org/W2019469789","doi":"https://doi.org/10.1016/s0097-8485(97)00023-5","mag":"2019469789"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(97)00023-5","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(97)00023-5","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","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/A5034051163","display_name":"Ludovic Mouron","orcid":null},"institutions":[{"id":"https://openalex.org/I149758196","display_name":"Chimie ParisTech","ror":"https://ror.org/05q65zh81","country_code":"FR","type":"education","lineage":["https://openalex.org/I149758196","https://openalex.org/I190752583"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Ludovic Mouron","raw_affiliation_strings":["Unit\u00e9 de Recherche Mod\u00e9lisation Appliqu\u00e9e \u00e0 la Chimie et aux Proc\u00e9d\u00e9s, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France"],"affiliations":[{"raw_affiliation_string":"Unit\u00e9 de Recherche Mod\u00e9lisation Appliqu\u00e9e \u00e0 la Chimie et aux Proc\u00e9d\u00e9s, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France","institution_ids":["https://openalex.org/I149758196","https://openalex.org/I39804081"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025494551","display_name":"Gilles Roullet","orcid":null},"institutions":[{"id":"https://openalex.org/I149758196","display_name":"Chimie ParisTech","ror":"https://ror.org/05q65zh81","country_code":"FR","type":"education","lineage":["https://openalex.org/I149758196","https://openalex.org/I190752583"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Gilles Roullet","raw_affiliation_strings":["Unit\u00e9 de Recherche Mod\u00e9lisation Appliqu\u00e9e \u00e0 la Chimie et aux Proc\u00e9d\u00e9s, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France"],"affiliations":[{"raw_affiliation_string":"Unit\u00e9 de Recherche Mod\u00e9lisation Appliqu\u00e9e \u00e0 la Chimie et aux Proc\u00e9d\u00e9s, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France","institution_ids":["https://openalex.org/I149758196","https://openalex.org/I39804081"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112455538","display_name":"Jean\u2010Jacques Legendre","orcid":null},"institutions":[{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I149758196","display_name":"Chimie ParisTech","ror":"https://ror.org/05q65zh81","country_code":"FR","type":"education","lineage":["https://openalex.org/I149758196","https://openalex.org/I190752583"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Jean-Jacques Legendre","raw_affiliation_strings":["Unit\u00e9 de Recherche Mod\u00e9lisation Appliqu\u00e9e \u00e0 la Chimie et aux Proc\u00e9d\u00e9s, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France"],"affiliations":[{"raw_affiliation_string":"Unit\u00e9 de Recherche Mod\u00e9lisation Appliqu\u00e9e \u00e0 la Chimie et aux Proc\u00e9d\u00e9s, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France","institution_ids":["https://openalex.org/I149758196","https://openalex.org/I39804081"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110423351","display_name":"G\u00e9rard Picard","orcid":null},"institutions":[{"id":"https://openalex.org/I149758196","display_name":"Chimie ParisTech","ror":"https://ror.org/05q65zh81","country_code":"FR","type":"education","lineage":["https://openalex.org/I149758196","https://openalex.org/I190752583"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"G\u00e9rard Picard","raw_affiliation_strings":["Unit\u00e9 de Recherche d'Electrochimie Analytique et Appliqu\u00e9e (Unit\u00e9 associ\u00e9e au CNRS no. 216), Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France"],"affiliations":[{"raw_affiliation_string":"Unit\u00e9 de Recherche d'Electrochimie Analytique et Appliqu\u00e9e (Unit\u00e9 associ\u00e9e au CNRS no. 216), Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231, Paris, Cedex 05, France","institution_ids":["https://openalex.org/I149758196","https://openalex.org/I39804081","https://openalex.org/I1294671590"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5112455538"],"corresponding_institution_ids":["https://openalex.org/I149758196","https://openalex.org/I39804081"],"apc_list":null,"apc_paid":null,"fwci":0.3204,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.55595856,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"21","issue":"6","first_page":"431","last_page":"435"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9941999912261963,"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/T11881","display_name":"Crystallization and Solubility Studies","score":0.9941999912261963,"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/T11212","display_name":"Cultural Heritage Materials Analysis","score":0.9666000008583069,"subfield":{"id":"https://openalex.org/subfields/1204","display_name":"Archeology"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T10474","display_name":"Material Dynamics and Properties","score":0.9635999798774719,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/neutron-diffraction","display_name":"Neutron diffraction","score":0.823186993598938},{"id":"https://openalex.org/keywords/consistency","display_name":"Consistency (knowledge bases)","score":0.6647263169288635},{"id":"https://openalex.org/keywords/diffraction","display_name":"Diffraction","score":0.6281461119651794},{"id":"https://openalex.org/keywords/simulated-annealing","display_name":"Simulated annealing","score":0.561616837978363},{"id":"https://openalex.org/keywords/experimental-data","display_name":"Experimental data","score":0.4541671872138977},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.4272230863571167},{"id":"https://openalex.org/keywords/annealing","display_name":"Annealing (glass)","score":0.42685699462890625},{"id":"https://openalex.org/keywords/neutron","display_name":"Neutron","score":0.4263985753059387},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.38504651188850403},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3676173985004425},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.2632145285606384},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1964263916015625},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1953418254852295},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.18905335664749146},{"id":"https://openalex.org/keywords/nuclear-physics","display_name":"Nuclear physics","score":0.1232595145702362},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.09584379196166992},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.08268719911575317}],"concepts":[{"id":"https://openalex.org/C73585123","wikidata":"https://www.wikidata.org/wiki/Q910499","display_name":"Neutron diffraction","level":3,"score":0.823186993598938},{"id":"https://openalex.org/C2776436953","wikidata":"https://www.wikidata.org/wiki/Q5163215","display_name":"Consistency (knowledge bases)","level":2,"score":0.6647263169288635},{"id":"https://openalex.org/C207114421","wikidata":"https://www.wikidata.org/wiki/Q133900","display_name":"Diffraction","level":2,"score":0.6281461119651794},{"id":"https://openalex.org/C126980161","wikidata":"https://www.wikidata.org/wiki/Q863783","display_name":"Simulated annealing","level":2,"score":0.561616837978363},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.4541671872138977},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4272230863571167},{"id":"https://openalex.org/C2777855556","wikidata":"https://www.wikidata.org/wiki/Q4339544","display_name":"Annealing (glass)","level":2,"score":0.42685699462890625},{"id":"https://openalex.org/C152568617","wikidata":"https://www.wikidata.org/wiki/Q2348","display_name":"Neutron","level":2,"score":0.4263985753059387},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.38504651188850403},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3676173985004425},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2632145285606384},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1964263916015625},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1953418254852295},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.18905335664749146},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.1232595145702362},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.09584379196166992},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.08268719911575317},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/s0097-8485(97)00023-5","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(97)00023-5","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W356911458","https://openalex.org/W632130137","https://openalex.org/W634337768","https://openalex.org/W1563087137","https://openalex.org/W1608781890","https://openalex.org/W1662374196","https://openalex.org/W1965752441","https://openalex.org/W1987705424","https://openalex.org/W1994839175","https://openalex.org/W1999364023","https://openalex.org/W2018129014","https://openalex.org/W2023128489","https://openalex.org/W2034841298","https://openalex.org/W2050716730","https://openalex.org/W2067053860","https://openalex.org/W2069629430","https://openalex.org/W2086783029","https://openalex.org/W2131856003","https://openalex.org/W2154632077","https://openalex.org/W2319693424","https://openalex.org/W2340136568","https://openalex.org/W4206446183","https://openalex.org/W4256421394","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2025427163","https://openalex.org/W2392013129","https://openalex.org/W2113777112","https://openalex.org/W2884994975","https://openalex.org/W1983494896","https://openalex.org/W1603736412","https://openalex.org/W2357727223","https://openalex.org/W2067147118","https://openalex.org/W2153172467","https://openalex.org/W1999590614"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}