{"id":"https://openalex.org/W7204912074","doi":"https://doi.org/10.48550/arxiv.2608.29344","title":"Transition states and dynamical bottlenecks in the Li-NC <-> Li-CN isomerizing reaction with the Lagrangian betweenness","display_name":"Transition states and dynamical bottlenecks in the Li-NC <-> Li-CN isomerizing reaction with the Lagrangian betweenness","publication_year":2026,"publication_date":"2026-08-29","ids":{"openalex":"https://openalex.org/W7204912074","doi":"https://doi.org/10.48550/arxiv.2608.29344"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2608.29344","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.29344","pdf_url":"https://arxiv.org/pdf/2608.29344","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2608.29344","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5137166748","display_name":"P. Garc\u00eda-Cuadrillero","orcid":"https://orcid.org/0000-0002-3574-4822","observed_orcids":["https://orcid.org/0000-0002-3574-4822"]},"institutions":[{"id":"https://openalex.org/I88060688","display_name":"Universidad Polit\u00e9cnica de Madrid","ror":"https://ror.org/03n6nwv02","country_code":"ES","type":"education","lineage":["https://openalex.org/I88060688"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Garc\u00eda-Cuadrillero, P.","raw_affiliation_strings":[") Grupo de Sistemas Complejos , Departamento de Matem\u00e1tica Aplicada , Escuela T\u00e9cnica Superior de Edificaci\u00f3n , Universidad Polit\u00e9cnica de Madrid , Avenida Juan de Herrera 6 , 28040 Madrid , Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") Grupo de Sistemas Complejos , Departamento de Matem\u00e1tica Aplicada , Escuela T\u00e9cnica Superior de Edificaci\u00f3n , Universidad Polit\u00e9cnica de Madrid , Avenida Juan de Herrera 6 , 28040 Madrid , Spain","institution_ids":["https://openalex.org/I88060688"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008790121","display_name":"F. Revuelta","orcid":"https://orcid.org/0000-0002-2410-5881","observed_orcids":["https://orcid.org/0000-0002-2410-5881"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Revuelta, F.","raw_affiliation_strings":[") Grupo de Sistemas Complejos , Escuela T\u00e9cnica Superior de Ingenier\u00eda Agron\u00f3mica ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") Grupo de Sistemas Complejos , Escuela T\u00e9cnica Superior de Ingenier\u00eda Agron\u00f3mica ,","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5125152264","display_name":"R. M. Benito","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Benito, R. M.","raw_affiliation_strings":[") Grupo de Sistemas Complejos , Escuela T\u00e9cnica Superior de Ingenier\u00eda Agron\u00f3mica ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") Grupo de Sistemas Complejos , Escuela T\u00e9cnica Superior de Ingenier\u00eda Agron\u00f3mica ,","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5070551031","display_name":"F. Borondo","orcid":"https://orcid.org/0000-0003-3094-8911","observed_orcids":["https://orcid.org/0000-0003-3094-8911"]},"institutions":[{"id":"https://openalex.org/I63634437","display_name":"Universidad Aut\u00f3noma de Madrid","ror":"https://ror.org/01cby8j38","country_code":"ES","type":"education","lineage":["https://openalex.org/I63634437"]},{"id":"https://openalex.org/I88060688","display_name":"Universidad Polit\u00e9cnica de Madrid","ror":"https://ror.org/03n6nwv02","country_code":"ES","type":"education","lineage":["https://openalex.org/I88060688"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Borondo, F.","raw_affiliation_strings":[") Departamento de Qu\u00edmica , Universidad Aut\u00f3noma de Madrid , Cantoblanco , 28049 Madrid , Spain","Alimentaria y de Biosistemas , Universidad Polit\u00e9cnica de Madrid , Avenida Puerta de Hierro 2 , 28040 Madrid , Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") Departamento de Qu\u00edmica , Universidad Aut\u00f3noma de Madrid , Cantoblanco , 28049 Madrid , Spain","institution_ids":["https://openalex.org/I63634437"]},{"raw_affiliation_string":"Alimentaria y de Biosistemas , Universidad Polit\u00e9cnica de Madrid , Avenida Puerta de Hierro 2 , 28040 Madrid , Spain","institution_ids":["https://openalex.org/I88060688"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11261","display_name":"Quantum chaos and dynamical systems","score":0.6840999722480774,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"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/T11261","display_name":"Quantum chaos and dynamical systems","score":0.6840999722480774,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.11020000278949738,"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/T11187","display_name":"Nonlinear Dynamics and Pattern Formation","score":0.028300000354647636,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"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/transition-state","display_name":"transition state","score":0.7329999804496765},{"id":"https://openalex.org/keywords/vibrational-dynamics","display_name":"vibrational dynamics","score":0.8939999938011169},{"id":"https://openalex.org/keywords/invariant-manifolds","display_name":"invariant manifolds","score":0.6309999823570251},{"id":"https://openalex.org/keywords/invariant-tori","display_name":"invariant tori","score":0.7900000214576721},{"id":"https://openalex.org/keywords/betweenness-centrality","display_name":"betweenness centrality","score":0.6499999761581421}],"concepts":[{"id":"https://openalex.org/C117045392","wikidata":"https://www.wikidata.org/wiki/Q4899215","display_name":"Betweenness centrality","level":3,"score":0.8277000188827515},{"id":"https://openalex.org/C190470478","wikidata":"https://www.wikidata.org/wiki/Q2370229","display_name":"Invariant (physics)","level":2,"score":0.573199987411499},{"id":"https://openalex.org/C53469067","wikidata":"https://www.wikidata.org/wiki/Q505735","display_name":"Lagrangian","level":2,"score":0.5541999936103821},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.5418000221252441},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.504800021648407},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5029000043869019},{"id":"https://openalex.org/C79379906","wikidata":"https://www.wikidata.org/wiki/Q3174497","display_name":"Dynamical systems theory","level":2,"score":0.4374000132083893},{"id":"https://openalex.org/C89031862","wikidata":"https://www.wikidata.org/wiki/Q906964","display_name":"Transition state","level":3,"score":0.37439998984336853},{"id":"https://openalex.org/C2983030100","wikidata":"https://www.wikidata.org/wiki/Q638328","display_name":"Nonlinear dynamical systems","level":3,"score":0.37209999561309814},{"id":"https://openalex.org/C140619461","wikidata":"https://www.wikidata.org/wiki/Q190463","display_name":"Lagrangian point","level":2,"score":0.3517000079154968},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.31380000710487366},{"id":"https://openalex.org/C33962884","wikidata":"https://www.wikidata.org/wiki/Q378637","display_name":"Dynamical system (definition)","level":3,"score":0.3019999861717224},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.27140000462532043},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2644999921321869},{"id":"https://openalex.org/C117896860","wikidata":"https://www.wikidata.org/wiki/Q11376","display_name":"Acceleration","level":2,"score":0.25850000977516174}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2608.29344","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.29344","pdf_url":"https://arxiv.org/pdf/2608.29344","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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"},{"id":"doi:10.48550/arxiv.2608.29344","doi":"https://doi.org/10.48550/arxiv.2608.29344","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2608.29344","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2608.29344","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2608.29344","pdf_url":"https://arxiv.org/pdf/2608.29344","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4194288487","display_name":null,"funder_award_id":"AEI/10.13039/501100011033","funder_id":"https://openalex.org/F4320322138","funder_display_name":"Universidad Polit\u00e9cnica de Madrid"},{"id":"https://openalex.org/G458020979","display_name":null,"funder_award_id":"MCIN/AEI / 10.13039/501100011033","funder_id":"https://openalex.org/F4320322138","funder_display_name":"Universidad Polit\u00e9cnica de Madrid"},{"id":"https://openalex.org/G6170497305","display_name":null,"funder_award_id":"PID2021-122711NB-C21","funder_id":"https://openalex.org/F4320335598","funder_display_name":"Agencia Estatal de Investigaci\u00f3n"},{"id":"https://openalex.org/G6407662743","display_name":null,"funder_award_id":"PID2021-122711NB-C21","funder_id":"https://openalex.org/F4320322138","funder_display_name":"Universidad Polit\u00e9cnica de Madrid"}],"funders":[{"id":"https://openalex.org/F4320322138","display_name":"Universidad Polit\u00e9cnica de Madrid","ror":"https://ror.org/03n6nwv02"},{"id":"https://openalex.org/F4320335598","display_name":"Agencia Estatal de Investigaci\u00f3n","ror":"https://ror.org/003x0zc53"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7204912074.pdf","grobid_xml":"https://content.openalex.org/works/W7204912074.grobid-xml"},"referenced_works_count":1,"referenced_works":["https://openalex.org/W3175880374"],"related_works":["https://openalex.org/W7213372299","https://openalex.org/W2017335492","https://openalex.org/W3003476953","https://openalex.org/W3207033890","https://openalex.org/W823857152","https://openalex.org/W1996557561","https://openalex.org/W2094802816","https://openalex.org/W2783988133","https://openalex.org/W2979462049","https://openalex.org/W2968282525"],"abstract_inverted_index":{"We":[0],"study":[1],"the":[2,15,27,33,36,42,51,64,72,75,90,93,97,105,108,112,116,123,152,157],"vibrational":[3,154],"dynamics":[4,155],"that":[5,44,86,96,122],"is":[6,54,126],"responsible":[7,150],"for":[8,151],"Li-NC":[9],"<->":[10],"Li-CN":[11],"isomerization":[12],"reaction":[13,106],"using":[14],"Lagrangian":[16,52,76,124],"betweenness,":[17],"a":[18],"tool":[19],"recently":[20],"developed":[21],"to":[22,57,78,103,111,129],"identify":[23,58,79,130],"dynamical":[24,61,132],"bottlenecks":[25,47,59],"in":[26,48,60,67,101],"context":[28],"of":[29,35,74,92,142,156],"oceanographic":[30],"transport.":[31],"Following":[32],"spirit":[34],"betweenness-centrality":[37],"metric,":[38],"which":[39,82,147],"efficiently":[40],"identifies":[41],"nodes":[43],"act":[45],"as":[46,139],"complex":[49],"networks,":[50],"betweenness":[53,77,125],"similarly":[55],"capable":[56],"systems.":[62],"On":[63,115],"one":[65],"hand,":[66,118],"this":[68],"paper":[69],"we":[70,119],"show":[71],"ability":[73],"transition":[80,104],"states,":[81],"are":[83,87,148],"short-lived":[84],"states":[85],"formed":[88],"at":[89],"top":[91],"energetic":[94],"barrier":[95],"system":[98],"must":[99],"surpass":[100],"order":[102],"from":[107],"(initial)":[109],"reactants":[110],"(final)":[113],"products.":[114],"other":[117,131],"also":[120,127,149],"demonstrate":[121],"able":[128],"bottlenecks,":[133],"and":[134,144],"phase-space":[135],"invariant":[136,145],"structures":[137],"such":[138],"manifolds,":[140],"chains":[141],"islands":[143],"tori,":[146],"intricate":[153],"system.":[158]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-09-02T00:00:00"}
