{"id":"https://openalex.org/W2107068924","doi":"https://doi.org/10.1002/jcc.540141002","title":"Continuous similarity measure between nonoverlapping X\u2010ray powder diagrams of different crystal modifications","display_name":"Continuous similarity measure between nonoverlapping X\u2010ray powder diagrams of different crystal modifications","publication_year":1993,"publication_date":"1993-10-01","ids":{"openalex":"https://openalex.org/W2107068924","doi":"https://doi.org/10.1002/jcc.540141002","mag":"2107068924"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.540141002","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540141002","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational 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/A5058819729","display_name":"Heinrich R. Karfunkel","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"H.R. Karfunkel","raw_affiliation_strings":["Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]},{"raw_affiliation_string":"Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054928409","display_name":"Bernhard Rohde","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"B. Rohde","raw_affiliation_strings":["Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]},{"raw_affiliation_string":"Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041234457","display_name":"F.J.J. Leusen","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"F.J.J. Leusen","raw_affiliation_strings":["Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]},{"raw_affiliation_string":"Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065406945","display_name":"Robert J. Gdanitz","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"R.J. Gdanitz","raw_affiliation_strings":["Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]},{"raw_affiliation_string":"Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110621171","display_name":"G. Rihs","orcid":null},"institutions":[{"id":"https://openalex.org/I1283582996","display_name":"Novartis (Switzerland)","ror":"https://ror.org/02f9zrr09","country_code":"CH","type":"company","lineage":["https://openalex.org/I1283582996"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"G. Rihs","raw_affiliation_strings":["Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ciba Geigy AG, R-1008.823, CH-4002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]},{"raw_affiliation_string":"Ciba Geigy AG, R\u20101008.823, CH\u20104002 Basel, Switzerland","institution_ids":["https://openalex.org/I1283582996"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5058819729"],"corresponding_institution_ids":["https://openalex.org/I1283582996"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.9665,"has_fulltext":false,"cited_by_count":58,"citation_normalized_percentile":{"value":0.77521227,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"14","issue":"10","first_page":"1125","last_page":"1135"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T10798","display_name":"Crystallography and molecular interactions","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T11162","display_name":"Enzyme Structure and Function","score":0.9959999918937683,"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/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.994700014591217,"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/similarity","display_name":"Similarity (geometry)","score":0.6806415319442749},{"id":"https://openalex.org/keywords/fortran","display_name":"Fortran","score":0.6327569484710693},{"id":"https://openalex.org/keywords/measure","display_name":"Measure (data warehouse)","score":0.6065551042556763},{"id":"https://openalex.org/keywords/diagram","display_name":"Diagram","score":0.5572063326835632},{"id":"https://openalex.org/keywords/crystal","display_name":"Crystal (programming language)","score":0.5370214581489563},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5232469439506531},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"Crystal structure","score":0.5119572877883911},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.5024151802062988},{"id":"https://openalex.org/keywords/basis","display_name":"Basis (linear algebra)","score":0.4661114811897278},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.4541354775428772},{"id":"https://openalex.org/keywords/similitude","display_name":"Similitude","score":0.41882550716400146},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.40446358919143677},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3478485941886902},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3476281762123108},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.329612135887146},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.27684155106544495},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2543172240257263},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.2471652328968048},{"id":"https://openalex.org/keywords/image","display_name":"Image (mathematics)","score":0.17198285460472107},{"id":"https://openalex.org/keywords/pure-mathematics","display_name":"Pure mathematics","score":0.13407784700393677},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.09790635108947754},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.0776052474975586}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.6806415319442749},{"id":"https://openalex.org/C2778241615","wikidata":"https://www.wikidata.org/wiki/Q83303","display_name":"Fortran","level":2,"score":0.6327569484710693},{"id":"https://openalex.org/C2780009758","wikidata":"https://www.wikidata.org/wiki/Q6804172","display_name":"Measure (data warehouse)","level":2,"score":0.6065551042556763},{"id":"https://openalex.org/C186399060","wikidata":"https://www.wikidata.org/wiki/Q959962","display_name":"Diagram","level":2,"score":0.5572063326835632},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.5370214581489563},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5232469439506531},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.5119572877883911},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5024151802062988},{"id":"https://openalex.org/C12426560","wikidata":"https://www.wikidata.org/wiki/Q189569","display_name":"Basis (linear algebra)","level":2,"score":0.4661114811897278},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4541354775428772},{"id":"https://openalex.org/C143271835","wikidata":"https://www.wikidata.org/wiki/Q254515","display_name":"Similitude","level":2,"score":0.41882550716400146},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.40446358919143677},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3478485941886902},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3476281762123108},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.329612135887146},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.27684155106544495},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2543172240257263},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.2471652328968048},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.17198285460472107},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.13407784700393677},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09790635108947754},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0776052474975586},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/jcc.540141002","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540141002","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","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":10,"referenced_works":["https://openalex.org/W1507411402","https://openalex.org/W1592878305","https://openalex.org/W1970633741","https://openalex.org/W1991745272","https://openalex.org/W2011406783","https://openalex.org/W2025440110","https://openalex.org/W2081010952","https://openalex.org/W2094303697","https://openalex.org/W2162166182","https://openalex.org/W4213057929"],"related_works":["https://openalex.org/W2323025356","https://openalex.org/W2066731161","https://openalex.org/W2342977227","https://openalex.org/W1986195078","https://openalex.org/W1974990957","https://openalex.org/W4250743593","https://openalex.org/W2020688494","https://openalex.org/W2139861403","https://openalex.org/W2372745973","https://openalex.org/W2366015234"],"abstract_inverted_index":{"Abstract":[0],"The":[1,58,116,135],"problem":[2,13],"of":[3,14,49,61,63,69,85,93,101,111,118,121,126,138],"quantifying":[4],"similarity":[5,23],"between":[6,25],"crystal":[7,72,87],"structures":[8],"is":[9,32,43,80,130],"transformed":[10],"into":[11],"the":[12,16,40,47,50,64,67,76,83,91,102,119,139],"comparing":[15],"associated":[17],"X\u2010ray":[18],"powder":[19,27,78],"diagrams.":[20],"A":[21,97],"smooth":[22],"measure":[24],"two":[26],"diagrams,":[28],"termed":[29],"a":[30,70,108,127,144],"\u201cfold,\u201d":[31],"defined.":[33],"In":[34],"contrast":[35],"to":[36,52],"conventional":[37],"comparison":[38],"methods,":[39],"introduced":[41],"method":[42,65,140],"still":[44],"applicable":[45],"when":[46,74],"peaks":[48],"spectra":[51],"be":[53],"compared":[54],"have":[55],"no":[56],"overlap.":[57],"main":[59],"areas":[60],"application":[62],"are":[66,141],"construction":[68],"molecular":[71,94],"structure":[73],"only":[75],"experimental":[77,112],"diagram":[79],"available":[81],"and":[82,113],"analysis":[84,117],"possible":[86],"packings":[88],"predicted":[89],"on":[90],"basis":[92],"information":[95],"only.":[96],"suitable":[98],"empirical":[99],"parameterization":[100],"fold":[103],"has":[104],"been":[105],"derived":[106],"from":[107],"large":[109],"set":[110],"force\u2010field\u2010generated":[114],"crystals.":[115],"outcome":[120],"an":[122,133],"ab":[123],"initio":[124],"packing":[125],"flexible":[128],"molecule":[129],"given":[131,142],"as":[132,143],"example.":[134],"algorithmic":[136],"details":[137],"FORTRAN":[145],"77":[146],"code.":[147],"\u00a9":[148],"John":[149],"Wiley":[150],"&amp;":[151],"Sons,":[152],"Inc.":[153]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}
