{"id":"https://openalex.org/W2028872616","doi":"https://doi.org/10.1016/0097-8485(77)85008-0","title":"Application of Newton-Raphson optimization techniques in molecular mechanics calculations","display_name":"Application of Newton-Raphson optimization techniques in molecular mechanics calculations","publication_year":1977,"publication_date":"1977-01-01","ids":{"openalex":"https://openalex.org/W2028872616","doi":"https://doi.org/10.1016/0097-8485(77)85008-0","mag":"2028872616"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(77)85008-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(77)85008-0","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/A5108202303","display_name":"Richard L. Hilderbrandt","orcid":null},"institutions":[{"id":"https://openalex.org/I57328836","display_name":"North Dakota State University","ror":"https://ror.org/05h1bnb22","country_code":"US","type":"education","lineage":["https://openalex.org/I57328836"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Richard L. Hilderbrandt","raw_affiliation_strings":["Department of Chemistry, North Dakota State University, Fargo, ND 58102, U.S.A"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, North Dakota State University, Fargo, ND 58102, U.S.A","institution_ids":["https://openalex.org/I57328836"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5108202303"],"corresponding_institution_ids":["https://openalex.org/I57328836"],"apc_list":null,"apc_paid":null,"fwci":2.8595,"has_fulltext":false,"cited_by_count":58,"citation_normalized_percentile":{"value":0.88548089,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"1","issue":"3","first_page":"179","last_page":"186"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.9962999820709229,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.9962999820709229,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9947999715805054,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"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"}}],"keywords":[{"id":"https://openalex.org/keywords/newtons-method","display_name":"Newton's method","score":0.5693747401237488},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3469884693622589},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3466542661190033},{"id":"https://openalex.org/keywords/classical-mechanics","display_name":"Classical mechanics","score":0.32901790738105774},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.32421931624412537},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.13725030422210693},{"id":"https://openalex.org/keywords/nonlinear-system","display_name":"Nonlinear system","score":0.10132816433906555}],"concepts":[{"id":"https://openalex.org/C85189116","wikidata":"https://www.wikidata.org/wiki/Q374195","display_name":"Newton's method","level":3,"score":0.5693747401237488},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3469884693622589},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3466542661190033},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.32901790738105774},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.32421931624412537},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.13725030422210693},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.10132816433906555}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(77)85008-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(77)85008-0","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":[{"score":0.8899999856948853,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W1964571290","https://openalex.org/W1965491780","https://openalex.org/W1967007892","https://openalex.org/W1971678423","https://openalex.org/W2006041360","https://openalex.org/W2007467270","https://openalex.org/W2033103574","https://openalex.org/W2038414099","https://openalex.org/W2051361040","https://openalex.org/W2066677535","https://openalex.org/W2087912313","https://openalex.org/W2093835465","https://openalex.org/W2120439575","https://openalex.org/W2123625178","https://openalex.org/W2145045474","https://openalex.org/W2329076112","https://openalex.org/W3005350933"],"related_works":["https://openalex.org/W2008597485","https://openalex.org/W1979846157","https://openalex.org/W3118977201","https://openalex.org/W1999624973","https://openalex.org/W2034167671","https://openalex.org/W2053802030","https://openalex.org/W2066120742","https://openalex.org/W1977131495","https://openalex.org/W2081095848","https://openalex.org/W2059482096"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}