{"id":"https://openalex.org/W2087663620","doi":"https://doi.org/10.1016/0097-8485(85)80009-7","title":"Atcoor: A program for calculation and utilization of molecular atomic doordinates from bond parameters","display_name":"Atcoor: A program for calculation and utilization of molecular atomic doordinates from bond parameters","publication_year":1985,"publication_date":"1985-01-01","ids":{"openalex":"https://openalex.org/W2087663620","doi":"https://doi.org/10.1016/0097-8485(85)80009-7","mag":"2087663620"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(85)80009-7","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(85)80009-7","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/A5081470518","display_name":"J. Eric Nordlander","orcid":null},"institutions":[{"id":"https://openalex.org/I58956616","display_name":"Case Western Reserve University","ror":"https://ror.org/051fd9666","country_code":"US","type":"education","lineage":["https://openalex.org/I58956616"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"J.Eric Nordlander","raw_affiliation_strings":["Department of Chemistry, Case Western Reserve University, Cleveland, OH 44106 U.S.A"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Case Western Reserve University, Cleveland, OH 44106 U.S.A","institution_ids":["https://openalex.org/I58956616"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064586294","display_name":"Angus F. Bond","orcid":null},"institutions":[{"id":"https://openalex.org/I2802654978","display_name":"The Medical Center of Aurora","ror":"https://ror.org/04qw37741","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I2802654978","https://openalex.org/I4210120438"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Angus F. Bond","raw_affiliation_strings":["Technicare,Inc.,29100 Aurora Road, Solo, OH 44139, U.S.A"],"affiliations":[{"raw_affiliation_string":"Technicare,Inc.,29100 Aurora Road, Solo, OH 44139, U.S.A","institution_ids":["https://openalex.org/I2802654978"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074404960","display_name":"Morris Bader","orcid":null},"institutions":[{"id":"https://openalex.org/I205139184","display_name":"Moravian University","ror":"https://ror.org/048gkf592","country_code":"US","type":"education","lineage":["https://openalex.org/I205139184"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Morris Bader","raw_affiliation_strings":["Department of Chemistry, Moravian College, Bethlehem, PA U.S.A"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Moravian College, Bethlehem, PA U.S.A","institution_ids":["https://openalex.org/I205139184"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5081470518"],"corresponding_institution_ids":["https://openalex.org/I58956616"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.25577134,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"9","issue":"3","first_page":"209","last_page":"235"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9990000128746033,"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":0.9990000128746033,"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/T12327","display_name":"Various Chemistry Research Topics","score":0.9905999898910522,"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/T12748","display_name":"Molecular spectroscopy and chirality","score":0.9901000261306763,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/bond","display_name":"Bond","score":0.5260943174362183},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.33669114112854004},{"id":"https://openalex.org/keywords/business","display_name":"Business","score":0.16451489925384521}],"concepts":[{"id":"https://openalex.org/C69738904","wikidata":"https://www.wikidata.org/wiki/Q11693","display_name":"Bond","level":2,"score":0.5260943174362183},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.33669114112854004},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.16451489925384521},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(85)80009-7","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(85)80009-7","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":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":1,"referenced_works":["https://openalex.org/W620024679"],"related_works":["https://openalex.org/W2899084033","https://openalex.org/W2898370298","https://openalex.org/W4292492973","https://openalex.org/W2744391499","https://openalex.org/W3120461830","https://openalex.org/W4230250635","https://openalex.org/W3041790586","https://openalex.org/W2018879842","https://openalex.org/W3144504424","https://openalex.org/W2325423348"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}