{"id":"https://openalex.org/W2020320344","doi":"https://doi.org/10.1016/0009-2614(92)85500-a","title":"Barriers to CC rotation in molecules with CC and CN conjugated bonds: a molecular orbital study","display_name":"Barriers to CC rotation in molecules with CC and CN conjugated bonds: a molecular orbital study","publication_year":1992,"publication_date":"1992-05-01","ids":{"openalex":"https://openalex.org/W2020320344","doi":"https://doi.org/10.1016/0009-2614(92)85500-a","mag":"2020320344"},"language":"en","primary_location":{"id":"doi:10.1016/0009-2614(92)85500-a","doi":"https://doi.org/10.1016/0009-2614(92)85500-a","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0009-2614(92)85500-a","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Letters","raw_type":"journal-article"},"volume":null,"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/A5079777790","display_name":"Thomas J. Venanzi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I885970263","display_name":"College of New Rochelle","ror":"https://ror.org/04erv1b58","country_code":"US","type":"education","lineage":["https://openalex.org/I125924841","https://openalex.org/I885970263"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"T.J. Venanzi","raw_affiliation_strings":["Department of Chemistry, College of New Rochelle, New Rochelle, NY 10805, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of New Rochelle, New Rochelle, NY 10805, USA","institution_ids":["https://openalex.org/I885970263"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084617938","display_name":"Carol A. Venanzi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118118575","display_name":"New Jersey Institute of Technology","ror":"https://ror.org/05e74xb87","country_code":"US","type":"education","lineage":["https://openalex.org/I118118575"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"C.A. Venanzi","raw_affiliation_strings":["Department of Chemical Engineering, Chemistry, and Environmental Sciences, New Jersey Institute of Technology, Newark, NJ 07102, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Chemistry, and Environmental Sciences, New Jersey Institute of Technology, Newark, NJ 07102, USA","institution_ids":["https://openalex.org/I118118575"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5079777790"],"corresponding_institution_ids":["https://openalex.org/I885970263"],"apc_list":{"value":3270,"currency":"USD","value_usd":3270},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.15302593,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"192","issue":"5-6","first_page":"469","last_page":"471"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.8583999872207642,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.8583999872207642,"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/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.07680000364780426,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.02419999986886978,"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/rotational-barriers","display_name":"rotational barriers","score":0.7170000076293945},{"id":"https://openalex.org/keywords/conformational-analysis","display_name":"conformational analysis","score":0.8700000047683716},{"id":"https://openalex.org/keywords/conformational-energy","display_name":"conformational energy","score":0.527999997138977},{"id":"https://openalex.org/keywords/methyl-substituent-effects","display_name":"methyl substituent effects","score":0.47999998927116394}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7229000329971313},{"id":"https://openalex.org/C2779648554","wikidata":"https://www.wikidata.org/wiki/Q182738","display_name":"Oxime","level":2,"score":0.6250392198562622},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.6098321080207825},{"id":"https://openalex.org/C2780422782","wikidata":"https://www.wikidata.org/wiki/Q342790","display_name":"Acrolein","level":3,"score":0.6056537628173828},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6048398017883301},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.5867140889167786},{"id":"https://openalex.org/C112613896","wikidata":"https://www.wikidata.org/wiki/Q898370","display_name":"Conjugated system","level":3,"score":0.5631175637245178},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.500694751739502},{"id":"https://openalex.org/C74050887","wikidata":"https://www.wikidata.org/wiki/Q848368","display_name":"Rotation (mathematics)","level":2,"score":0.4861114025115967},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4535272717475891},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.44756004214286804},{"id":"https://openalex.org/C155647269","wikidata":"https://www.wikidata.org/wiki/Q243455","display_name":"Medicinal chemistry","level":1,"score":0.1087348461151123},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09351760149002075},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0665474534034729},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0009-2614(92)85500-a","doi":"https://doi.org/10.1016/0009-2614(92)85500-a","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0009-2614(92)85500-a","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Letters","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W2002493483","https://openalex.org/W2008429363","https://openalex.org/W2022845822","https://openalex.org/W2023717859","https://openalex.org/W2047633009","https://openalex.org/W2057385579","https://openalex.org/W2060875637","https://openalex.org/W2069332261","https://openalex.org/W2072566877","https://openalex.org/W2076240794","https://openalex.org/W2080560680","https://openalex.org/W2146286288","https://openalex.org/W2950019110","https://openalex.org/W2952995430"],"related_works":["https://openalex.org/W1973679056","https://openalex.org/W2061952022","https://openalex.org/W2157350983","https://openalex.org/W2067104604","https://openalex.org/W1992995438","https://openalex.org/W1986204385","https://openalex.org/W2063160054","https://openalex.org/W1970137402","https://openalex.org/W2057755320","https://openalex.org/W1980984079"],"abstract_inverted_index":null,"counts_by_year":[{"year":2017,"cited_by_count":1}],"updated_date":"2026-09-21T07:43:02.447757","created_date":"2016-06-24T00:00:00"}