{"id":"https://openalex.org/W1988864196","doi":"https://doi.org/10.1016/s0097-8485(01)00105-x","title":"Theoretical study of the internal rotational barriers in nitrotoluenes, nitrophenols, and nitroanilines","display_name":"Theoretical study of the internal rotational barriers in nitrotoluenes, nitrophenols, and nitroanilines","publication_year":2002,"publication_date":"2002-01-01","ids":{"openalex":"https://openalex.org/W1988864196","doi":"https://doi.org/10.1016/s0097-8485(01)00105-x","mag":"1988864196","pmid":"https://pubmed.ncbi.nlm.nih.gov/11778940"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(01)00105-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(01)00105-x","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 &amp; Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5024270277","display_name":"P.C Chen","orcid":null},"institutions":[{"id":"https://openalex.org/I204116968","display_name":"Hsiuping University of Science and Technology","ror":"https://ror.org/04szp2m52","country_code":"TW","type":"education","lineage":["https://openalex.org/I204116968"]}],"countries":["TW"],"is_corresponding":true,"raw_author_name":"P.C Chen","raw_affiliation_strings":["Department of Chemical Engineering, Hsiuping Institute of Technology, Taichung, Taiwan, ROC. cpcc@mail.hit.edu.tw","Department of Chemical Engineering, Hsiuping Institute of Technology, 11 Gungye Road, Dali City, Taichung 412, Taiwan, ROC"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Hsiuping Institute of Technology, Taichung, Taiwan, ROC. cpcc@mail.hit.edu.tw","institution_ids":["https://openalex.org/I204116968"]},{"raw_affiliation_string":"Department of Chemical Engineering, Hsiuping Institute of Technology, 11 Gungye Road, Dali City, Taichung 412, Taiwan, ROC","institution_ids":["https://openalex.org/I204116968"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018733860","display_name":"S.C Chen","orcid":null},"institutions":[{"id":"https://openalex.org/I204116968","display_name":"Hsiuping University of Science and Technology","ror":"https://ror.org/04szp2m52","country_code":"TW","type":"education","lineage":["https://openalex.org/I204116968"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"S.C Chen","raw_affiliation_strings":["Department of Chemical Engineering, Hsiuping Institute of Technology, 11 Gungye Road, Dali City, Taichung 412, Taiwan, ROC"],"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Hsiuping Institute of Technology, 11 Gungye Road, Dali City, Taichung 412, Taiwan, ROC","institution_ids":["https://openalex.org/I204116968"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5024270277"],"corresponding_institution_ids":["https://openalex.org/I204116968"],"apc_list":null,"apc_paid":null,"fwci":1.1484,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.74351266,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"26","issue":"2","first_page":"171","last_page":"178"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.9998999834060669,"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":0.9998999834060669,"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/T12381","display_name":"Electron Spin Resonance Studies","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.996999979019165,"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/nitrophenol","display_name":"Nitrophenol","score":0.8151900768280029},{"id":"https://openalex.org/keywords/nitro","display_name":"Nitro","score":0.776647686958313},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7335368394851685},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.704840898513794},{"id":"https://openalex.org/keywords/nitroaniline","display_name":"Nitroaniline","score":0.5547319650650024},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.5533933043479919},{"id":"https://openalex.org/keywords/group","display_name":"Group (periodic table)","score":0.4334385395050049},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3999956548213959},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3597649335861206},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.26068177819252014},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.13653290271759033},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.05643835663795471}],"concepts":[{"id":"https://openalex.org/C2775971911","wikidata":"https://www.wikidata.org/wiki/Q408126","display_name":"Nitrophenol","level":3,"score":0.8151900768280029},{"id":"https://openalex.org/C2780639532","wikidata":"https://www.wikidata.org/wiki/Q7041427","display_name":"Nitro","level":3,"score":0.776647686958313},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7335368394851685},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.704840898513794},{"id":"https://openalex.org/C2779011942","wikidata":"https://www.wikidata.org/wiki/Q4321630","display_name":"Nitroaniline","level":2,"score":0.5547319650650024},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5533933043479919},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.4334385395050049},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3999956548213959},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3597649335861206},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.26068177819252014},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13653290271759033},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.05643835663795471},{"id":"https://openalex.org/C2780263894","wikidata":"https://www.wikidata.org/wiki/Q335268","display_name":"Alkyl","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1016/s0097-8485(01)00105-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(01)00105-x","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 &amp; Chemistry","raw_type":"journal-article"},{"id":"pmid:11778940","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11778940","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & chemistry","raw_type":null},{"id":"pmh:oai:localhost:310993100/1028","is_oa":false,"landing_page_url":"http://ir.hust.edu.tw/dspace/handle/310993100/1028","pdf_url":null,"source":{"id":"https://openalex.org/S4406922492","display_name":"HUST Institutional Repository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5400000214576721,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W1975661462","https://openalex.org/W1985589584","https://openalex.org/W1987763427","https://openalex.org/W1993736491","https://openalex.org/W2014547687","https://openalex.org/W2016513983","https://openalex.org/W2023323252","https://openalex.org/W2030493658","https://openalex.org/W2030687437","https://openalex.org/W2031128519","https://openalex.org/W2032980324","https://openalex.org/W2034667905","https://openalex.org/W2039785173","https://openalex.org/W2047645724","https://openalex.org/W2049079467","https://openalex.org/W2053646963","https://openalex.org/W2064262385","https://openalex.org/W2067570796","https://openalex.org/W2067995821","https://openalex.org/W2068943673","https://openalex.org/W2078658998","https://openalex.org/W2080444898","https://openalex.org/W2080607048","https://openalex.org/W2086957099","https://openalex.org/W2088097637","https://openalex.org/W2094719286","https://openalex.org/W2094975732","https://openalex.org/W2095547865","https://openalex.org/W2100001801","https://openalex.org/W2105622621","https://openalex.org/W2139469593","https://openalex.org/W2140894523","https://openalex.org/W2143981217","https://openalex.org/W2321315659","https://openalex.org/W2984501823"],"related_works":["https://openalex.org/W1619389371","https://openalex.org/W2587744446","https://openalex.org/W2011633927","https://openalex.org/W2321366725","https://openalex.org/W2595018957","https://openalex.org/W2068697890","https://openalex.org/W2756773877","https://openalex.org/W3208470503","https://openalex.org/W2105622621","https://openalex.org/W3026330997"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}
