{"id":"https://openalex.org/W2057715237","doi":"https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u","title":"An improved force field (MM4) for saturated hydrocarbons","display_name":"An improved force field (MM4) for saturated hydrocarbons","publication_year":1996,"publication_date":"1996-04-01","ids":{"openalex":"https://openalex.org/W2057715237","doi":"https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u","mag":"2057715237"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u","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/A5083305824","display_name":"Norman L. Allinger","orcid":null},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Norman L. Allinger","raw_affiliation_strings":["Contribution from Computational Center for Molecular Structure and Design, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556"],"affiliations":[{"raw_affiliation_string":"Contribution from Computational Center for Molecular Structure and Design, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556","institution_ids":["https://openalex.org/I165733156"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056327046","display_name":"Kuohsiang Chen","orcid":null},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kuohsiang Chen","raw_affiliation_strings":["Contribution from Computational Center for Molecular Structure and Design, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556"],"affiliations":[{"raw_affiliation_string":"Contribution from Computational Center for Molecular Structure and Design, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556","institution_ids":["https://openalex.org/I165733156"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028205690","display_name":"Jenn\u2010Huei Lii","orcid":null},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jenn-Huei Lii","raw_affiliation_strings":["Contribution from Computational Center for Molecular Structure and Design, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556"],"affiliations":[{"raw_affiliation_string":"Contribution from Computational Center for Molecular Structure and Design, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556","institution_ids":["https://openalex.org/I165733156"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5083305824"],"corresponding_institution_ids":["https://openalex.org/I165733156"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":13.5618,"has_fulltext":false,"cited_by_count":364,"citation_normalized_percentile":{"value":0.99633634,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"17","issue":"5-6","first_page":"642","last_page":"668"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.9998000264167786,"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/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.9998000264167786,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9988999962806702,"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9973000288009644,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.8175219297409058},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.5666235089302063},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.46154195070266724},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3737316131591797},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.14215457439422607},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.13885635137557983},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.07588890194892883}],"concepts":[{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.8175219297409058},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.5666235089302063},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.46154195070266724},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3737316131591797},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.14215457439422607},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.13885635137557983},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07588890194892883},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<642::aid-jcc6>3.0.co;2-u","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":56,"referenced_works":["https://openalex.org/W1904132","https://openalex.org/W166601247","https://openalex.org/W244384130","https://openalex.org/W1668014207","https://openalex.org/W1976221647","https://openalex.org/W1985383611","https://openalex.org/W1986319769","https://openalex.org/W1987702182","https://openalex.org/W1988971403","https://openalex.org/W1991712406","https://openalex.org/W1993831022","https://openalex.org/W2000772583","https://openalex.org/W2005266942","https://openalex.org/W2005648327","https://openalex.org/W2013745648","https://openalex.org/W2016603597","https://openalex.org/W2017596365","https://openalex.org/W2019713177","https://openalex.org/W2020156657","https://openalex.org/W2023590410","https://openalex.org/W2028792150","https://openalex.org/W2029142405","https://openalex.org/W2036753546","https://openalex.org/W2037806386","https://openalex.org/W2041345542","https://openalex.org/W2046002177","https://openalex.org/W2050525734","https://openalex.org/W2050679533","https://openalex.org/W2051707493","https://openalex.org/W2056523348","https://openalex.org/W2059664141","https://openalex.org/W2066677535","https://openalex.org/W2069497846","https://openalex.org/W2075544919","https://openalex.org/W2077758283","https://openalex.org/W2080552737","https://openalex.org/W2089526089","https://openalex.org/W2092144837","https://openalex.org/W2101841392","https://openalex.org/W2104108846","https://openalex.org/W2150957575","https://openalex.org/W2155430111","https://openalex.org/W2318304331","https://openalex.org/W2324836795","https://openalex.org/W2335343963","https://openalex.org/W2949258342","https://openalex.org/W2951669052","https://openalex.org/W2952116212","https://openalex.org/W2953012597","https://openalex.org/W3005135822","https://openalex.org/W3005350933","https://openalex.org/W3022503991","https://openalex.org/W3096378285","https://openalex.org/W4206663433","https://openalex.org/W4234732348","https://openalex.org/W4249367555"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4229748205","https://openalex.org/W2527526854","https://openalex.org/W2062208111","https://openalex.org/W1976181487","https://openalex.org/W2026261087"],"abstract_inverted_index":{"A":[0],"new":[1],"force":[2,39],"field":[3],"has":[4],"been":[5],"developed":[6],"for":[7],"alkanes":[8],"and":[9,23],"cycloalkanes,":[10],"excluding":[11],"small":[12,26],"rings,":[13],"to":[14,31],"improve":[15],"the":[16,34,37],"calculation":[17],"of":[18,36],"vibrational":[19],"frequencies,":[20],"rotational":[21],"barriers,":[22],"numerous":[24],"relatively":[25],"errors":[27],"that":[28],"were":[29],"observed":[30],"result":[32],"from":[33],"use":[35],"MM3":[38],"field.":[40],"\u00a9":[41],"1996":[42],"by":[43],"John":[44],"Wiley":[45],"&":[46],"Sons,":[47],"Inc.":[48]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":11},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":7},{"year":2017,"cited_by_count":42},{"year":2016,"cited_by_count":10},{"year":2015,"cited_by_count":15},{"year":2014,"cited_by_count":9},{"year":2013,"cited_by_count":10},{"year":2012,"cited_by_count":12}],"updated_date":"2026-03-14T08:43:22.919905","created_date":"2025-10-10T00:00:00"}
