{"id":"https://openalex.org/W2092575138","doi":"https://doi.org/10.1039/c39850000166","title":"Vibrationally assisted tunnelling (VAT) in a 1,5 hydrogen shift?","display_name":"Vibrationally assisted tunnelling (VAT) in a 1,5 hydrogen shift?","publication_year":1985,"publication_date":"1985-01-01","ids":{"openalex":"https://openalex.org/W2092575138","doi":"https://doi.org/10.1039/c39850000166","mag":"2092575138"},"language":"en","primary_location":{"id":"doi:10.1039/c39850000166","doi":"https://doi.org/10.1039/c39850000166","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c39850000166","pdf_url":null,"source":{"id":"https://openalex.org/S4210201432","display_name":"Journal of the Chemical Society Chemical Communications","issn_l":"0022-4936","issn":["0022-4936","2050-5639"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the Chemical Society, Chemical Communications","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/A5109936519","display_name":"Michael J. S. Dewar","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I86519309","display_name":"The University of Texas at Austin","ror":"https://ror.org/00hj54h04","country_code":"US","type":"education","lineage":["https://openalex.org/I86519309"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael J. S. Dewar","raw_affiliation_strings":["University of Texas at Austin#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas at Austin#TAB#","institution_ids":["https://openalex.org/I86519309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085994852","display_name":"Kenneth M. Merz","orcid":"https://orcid.org/0000-0001-9139-5893","observed_orcids":["https://orcid.org/0000-0001-9139-5893"]},"institutions":[{"id":"https://openalex.org/I86519309","display_name":"The University of Texas at Austin","ror":"https://ror.org/00hj54h04","country_code":"US","type":"education","lineage":["https://openalex.org/I86519309"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kenneth M. Merz","raw_affiliation_strings":["University of Texas at Austin#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas at Austin#TAB#","institution_ids":["https://openalex.org/I86519309"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060242817","display_name":"James J. P. Stewart","orcid":"https://orcid.org/0000-0001-6280-8695","observed_orcids":["https://orcid.org/0000-0001-6280-8695"]},"institutions":[{"id":"https://openalex.org/I86519309","display_name":"The University of Texas at Austin","ror":"https://ror.org/00hj54h04","country_code":"US","type":"education","lineage":["https://openalex.org/I86519309"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"James J. P. Stewart","raw_affiliation_strings":["University of Texas at Austin#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas at Austin#TAB#","institution_ids":["https://openalex.org/I86519309"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I86519309"],"apc_list":null,"apc_paid":null,"fwci":1.2724,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.77608874,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":null,"issue":"3","first_page":"166","last_page":"166"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13253","display_name":"Chemical Reactions and Mechanisms","score":0.8901000022888184,"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/T13253","display_name":"Chemical Reactions and Mechanisms","score":0.8901000022888184,"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/T12191","display_name":"Chemical Reaction Mechanisms","score":0.08110000193119049,"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"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.006500000134110451,"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/1-5-hydrogen-shift","display_name":"1,5-hydrogen shift","score":0.9290000200271606},{"id":"https://openalex.org/keywords/kinetic-isotope-effects","display_name":"kinetic isotope effects","score":0.9580000042915344},{"id":"https://openalex.org/keywords/mindo-3-calculations","display_name":"MINDO/3 calculations","score":0.8109999895095825},{"id":"https://openalex.org/keywords/hydrogen-migration","display_name":"hydrogen migration","score":0.5289999842643738},{"id":"https://openalex.org/keywords/alkene-rearrangement","display_name":"alkene rearrangement","score":0.6710000038146973},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.4429999887943268}],"concepts":[{"id":"https://openalex.org/C120398109","wikidata":"https://www.wikidata.org/wiki/Q175751","display_name":"Quantum tunnelling","level":2,"score":0.9213986992835999},{"id":"https://openalex.org/C2780649890","wikidata":"https://www.wikidata.org/wiki/Q16976492","display_name":"MINDO","level":3,"score":0.8475472927093506},{"id":"https://openalex.org/C69928629","wikidata":"https://www.wikidata.org/wiki/Q1386472","display_name":"Kinetic isotope effect","level":3,"score":0.8258466720581055},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.6737715005874634},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.633537769317627},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.5921316742897034},{"id":"https://openalex.org/C164304813","wikidata":"https://www.wikidata.org/wiki/Q25276","display_name":"Isotope","level":2,"score":0.5467880368232727},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.39944303035736084},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3943560719490051},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.36941397190093994},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.32365185022354126},{"id":"https://openalex.org/C58364064","wikidata":"https://www.wikidata.org/wiki/Q102296","display_name":"Deuterium","level":2,"score":0.22326257824897766},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22013771533966064},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.15549880266189575},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.10818788409233093},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.10089543461799622},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0944853127002716},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.06330838799476624}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1039/c39850000166","doi":"https://doi.org/10.1039/c39850000166","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c39850000166","pdf_url":null,"source":{"id":"https://openalex.org/S4210201432","display_name":"Journal of the Chemical Society Chemical Communications","issn_l":"0022-4936","issn":["0022-4936","2050-5639"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the Chemical Society, Chemical Communications","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2949390422","https://openalex.org/W4240443609","https://openalex.org/W2038369286","https://openalex.org/W2150805257","https://openalex.org/W2070973406","https://openalex.org/W2023625367","https://openalex.org/W2072474171","https://openalex.org/W1990474815","https://openalex.org/W1998942556","https://openalex.org/W2316195031"],"abstract_inverted_index":{"Vibrationally":[0],"assisted":[1],"tunnelling":[2,26],"(VAT),":[3],"kinetic":[4,29],"isotope":[5,30],"effect,":[6],"and":[7,35],"MINDO/3":[8],"calculations":[9,21],"are":[10],"reported":[11],"for":[12],"the":[13,28,37],"1,5":[14,38],"hydrogen":[15],"migration":[16],"of":[17,32],"penta-1,3-diene;":[18],"from":[19],"these":[20],"it":[22],"is":[23],"demonstrated":[24],"that":[25,36],"affects":[27],"effect":[31],"this":[33],"rearrangement":[34],"shift":[39],"should":[40],"proceed":[41],"via":[42],"VAT":[43],"almost":[44],"exclusively":[45],"at":[46],"498":[47],"K.":[48]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":3},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2026-10-08T09:06:37.294493","created_date":"2016-06-24T00:00:00"}