{"id":"https://openalex.org/W2090111219","doi":"https://doi.org/10.1021/ci9700182","title":"Some Notes on Randi\u0107\u2212Razinger's Approach to Characterization of Molecular Shapes","display_name":"Some Notes on Randi\u0107\u2212Razinger's Approach to Characterization of Molecular Shapes","publication_year":1997,"publication_date":"1997-09-01","ids":{"openalex":"https://openalex.org/W2090111219","doi":"https://doi.org/10.1021/ci9700182","mag":"2090111219"},"language":"en","primary_location":{"id":"doi:10.1021/ci9700182","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9700182","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","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/A5075772507","display_name":"N. S. Zefirov","orcid":null},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Nikolai S. Zefirov","raw_affiliation_strings":["Chemical Department, Moscow State University, Moscow 119899, Russia","Chemical Department, Moscow State University, Moscow, 119899 Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Department, Moscow State University, Moscow 119899, Russia","institution_ids":["https://openalex.org/I19880235"]},{"raw_affiliation_string":"Chemical Department, Moscow State University, Moscow, 119899 Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020140314","display_name":"Serge S. Tratch","orcid":null},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Serge S. Tratch","raw_affiliation_strings":["Chemical Department, Moscow State University, Moscow 119899, Russia","Chemical Department, Moscow State University, Moscow, 119899 Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Department, Moscow State University, Moscow 119899, Russia","institution_ids":["https://openalex.org/I19880235"]},{"raw_affiliation_string":"Chemical Department, Moscow State University, Moscow, 119899 Russia","institution_ids":["https://openalex.org/I19880235"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I19880235"],"apc_list":null,"apc_paid":null,"fwci":1.0228,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.77473742,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"37","issue":"5","first_page":"900","last_page":"912"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12527","display_name":"Chemistry and Stereochemistry Studies","score":0.9939000010490417,"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/T13297","display_name":"History and advancements in chemistry","score":0.9896000027656555,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/degenerate-energy-levels","display_name":"Degenerate energy levels","score":0.7411959171295166},{"id":"https://openalex.org/keywords/degeneracy","display_name":"Degeneracy (biology)","score":0.7225524187088013},{"id":"https://openalex.org/keywords/hexagonal-crystal-system","display_name":"Hexagonal crystal system","score":0.5952329635620117},{"id":"https://openalex.org/keywords/characterization","display_name":"Characterization (materials science)","score":0.5810790657997131},{"id":"https://openalex.org/keywords/lattice","display_name":"Lattice (music)","score":0.5157373547554016},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3845595419406891},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.37041977047920227},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.3637058138847351},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.34599557518959045},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.2878628373146057},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2386440932750702},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.1942983865737915},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.13135722279548645},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.08095410466194153},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.07679495215415955}],"concepts":[{"id":"https://openalex.org/C72319582","wikidata":"https://www.wikidata.org/wiki/Q584304","display_name":"Degenerate energy levels","level":2,"score":0.7411959171295166},{"id":"https://openalex.org/C2777727622","wikidata":"https://www.wikidata.org/wiki/Q5251772","display_name":"Degeneracy (biology)","level":2,"score":0.7225524187088013},{"id":"https://openalex.org/C128765274","wikidata":"https://www.wikidata.org/wiki/Q663314","display_name":"Hexagonal crystal system","level":2,"score":0.5952329635620117},{"id":"https://openalex.org/C2780841128","wikidata":"https://www.wikidata.org/wiki/Q5073781","display_name":"Characterization (materials science)","level":2,"score":0.5810790657997131},{"id":"https://openalex.org/C2781204021","wikidata":"https://www.wikidata.org/wiki/Q6497091","display_name":"Lattice (music)","level":2,"score":0.5157373547554016},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3845595419406891},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.37041977047920227},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.3637058138847351},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.34599557518959045},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.2878628373146057},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2386440932750702},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.1942983865737915},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.13135722279548645},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.08095410466194153},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07679495215415955},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci9700182","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9700182","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","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":10,"referenced_works":["https://openalex.org/W622493998","https://openalex.org/W1596902888","https://openalex.org/W1968542283","https://openalex.org/W2023148529","https://openalex.org/W2143050081","https://openalex.org/W2409065277","https://openalex.org/W2949393991","https://openalex.org/W2952223650","https://openalex.org/W4252715808","https://openalex.org/W4253980551"],"related_works":["https://openalex.org/W2125277162","https://openalex.org/W1552514155","https://openalex.org/W168460013","https://openalex.org/W4287687395","https://openalex.org/W2215112080","https://openalex.org/W3037733829","https://openalex.org/W4300428659","https://openalex.org/W4292881691","https://openalex.org/W2955288804","https://openalex.org/W2124225859"],"abstract_inverted_index":{"Several":[0],"problems":[1,25],"related":[2],"to":[3],"fundamentals":[4],"of":[5,10,21,26,36,50,57],"the":[6],"recent":[7],"Randi\u0107\u2212Razinger's":[8,47],"description":[9],"molecular":[11,22,29],"shapes":[12],"are":[13,32,40],"briefly":[14],"outlined.":[15],"An":[16],"alternative":[17],"\u201cgeometry":[18],"based\u201d":[19],"definition":[20],"periphery":[23,48],"and":[24],"degeneracy":[27],"for":[28],"shape":[30,38],"profiles":[31,39],"discussed;":[33],"two":[34],"examples":[35],"degenerate":[37],"explicitly":[41],"presented.":[42],"It":[43],"is":[44],"shown":[45],"that":[46],"codes":[49],"polybenzenoids":[51],"may":[52],"be":[53,64],"considered":[54],"as":[55],"characteristics":[56],"those":[58],"ring":[59],"2D":[60],"configurations":[61],"which":[62],"can":[63],"properly":[65],"embedded":[66],"on":[67],"a":[68],"regular":[69],"hexagonal":[70],"lattice.":[71]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
