{"id":"https://openalex.org/W2010137734","doi":"https://doi.org/10.1002/(sici)1096-987x(19961115)17:14<1612::aid-jcc3>3.0.co;2-o","title":"Improved algorithm for accurate computation of molecular solid angles","display_name":"Improved algorithm for accurate computation of molecular solid angles","publication_year":1996,"publication_date":"1996-11-15","ids":{"openalex":"https://openalex.org/W2010137734","doi":"https://doi.org/10.1002/(sici)1096-987x(19961115)17:14<1612::aid-jcc3>3.0.co;2-o","mag":"2010137734"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(19961115)17:14<1612::aid-jcc3>3.0.co;2-o","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19961115)17:14<1612::aid-jcc3>3.0.co;2-o","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/A5002599218","display_name":"B. Craig Taverner","orcid":null},"institutions":[{"id":"https://openalex.org/I192619145","display_name":"University of the Witwatersrand","ror":"https://ror.org/03rp50x72","country_code":"ZA","type":"education","lineage":["https://openalex.org/I192619145"]}],"countries":["ZA"],"is_corresponding":true,"raw_author_name":"B. Craig Taverner","raw_affiliation_strings":["Structural Chemistry Group, Department of Chemistry, University of the Witwatersrand, Private Bag 3, WITS 2050, Johannesburg, South Africa"],"affiliations":[{"raw_affiliation_string":"Structural Chemistry Group, Department of Chemistry, University of the Witwatersrand, Private Bag 3, WITS 2050, Johannesburg, South Africa","institution_ids":["https://openalex.org/I192619145"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5002599218"],"corresponding_institution_ids":["https://openalex.org/I192619145"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.2685,"has_fulltext":false,"cited_by_count":46,"citation_normalized_percentile":{"value":0.46724418,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"17","issue":"14","first_page":"1612","last_page":"1623"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9807000160217285,"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"}},"topics":[{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9807000160217285,"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"}},{"id":"https://openalex.org/T12748","display_name":"Molecular spectroscopy and chirality","score":0.9653000235557556,"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"}},{"id":"https://openalex.org/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9584000110626221,"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/computation","display_name":"Computation","score":0.7032123804092407},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.5761025547981262},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.576069712638855}],"concepts":[{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.7032123804092407},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5761025547981262},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.576069712638855}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(19961115)17:14<1612::aid-jcc3>3.0.co;2-o","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19961115)17:14<1612::aid-jcc3>3.0.co;2-o","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":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2051487156","https://openalex.org/W2073681303","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W4391913857"],"abstract_inverted_index":{"A":[0],"new":[1],"algorithm":[2,26],"involving":[3],"the":[4,7,28],"calculation":[5],"of":[6,10,19,39,52,55],"solid":[8,30,42,69],"angle":[9,31,72],"a":[11,14,17,33],"molecule":[12],"about":[13],"point":[15],"as":[16],"measure":[18],"steric":[20],"size":[21],"has":[22],"been":[23,65],"developed.":[24],"The":[25,58],"calculates":[27],"total":[29],"in":[32],"stepwise":[34],"fashion,":[35],"summing":[36],"all":[37,50],"regions":[38],"individual":[40],"atom":[41],"angles":[43],"and":[44,70,74],"overlapped":[45],"atoms,":[46],"taking":[47],"into":[48],"account":[49],"orders":[51],"possible":[53],"overlap":[54],"multiple":[56],"atoms.":[57],"results":[59],"for":[60],"several":[61],"molecular":[62],"fragments":[63],"have":[64],"compared":[66],"to":[67],"previous":[68],"cone":[71],"calculations":[73],"improved":[75],"correlations":[76],"were":[77],"observed.":[78],"\u00a9":[79],"1996":[80],"by":[81],"John":[82],"Wiley":[83],"&":[84],"Sons,":[85],"Inc.":[86]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
