{"id":"https://openalex.org/W2016328754","doi":"https://doi.org/10.1063/1.471729","title":"Normal mode and isomerization bending states in HCP: Periodic orbit assignment and spectroscopic signature","display_name":"Normal mode and isomerization bending states in HCP: Periodic orbit assignment and spectroscopic signature","publication_year":1996,"publication_date":"1996-06-22","ids":{"openalex":"https://openalex.org/W2016328754","doi":"https://doi.org/10.1063/1.471729","mag":"2016328754"},"language":"en","primary_location":{"id":"doi:10.1063/1.471729","doi":"https://doi.org/10.1063/1.471729","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.471729","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5067945305","display_name":"Stavros C. Farantos","orcid":"https://orcid.org/0000-0003-1909-7976","observed_orcids":["https://orcid.org/0000-0003-1909-7976"]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Stavros C. Farantos","raw_affiliation_strings":["Max-Planck-Institut f\u00fcr Str\u00f6mungsforschung, D-37073 G\u00f6ttingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut f\u00fcr Str\u00f6mungsforschung, D-37073 G\u00f6ttingen, Germany","institution_ids":["https://openalex.org/I149899117"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068007033","display_name":"Hans\u2010Martin Keller","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Hans-Martin Keller","raw_affiliation_strings":["Max-Planck-Institut f\u00fcr Str\u00f6mungsforschung, D-37073 G\u00f6ttingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut f\u00fcr Str\u00f6mungsforschung, D-37073 G\u00f6ttingen, Germany","institution_ids":["https://openalex.org/I149899117"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113570414","display_name":"Reinhard Schinke","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I149899117","display_name":"Max Planck Society","ror":"https://ror.org/01hhn8329","country_code":"DE","type":"nonprofit","lineage":["https://openalex.org/I149899117"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Reinhard Schinke","raw_affiliation_strings":["Max-Planck-Institut f\u00fcr Str\u00f6mungsforschung, D-37073 G\u00f6ttingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Max-Planck-Institut f\u00fcr Str\u00f6mungsforschung, D-37073 G\u00f6ttingen, Germany","institution_ids":["https://openalex.org/I149899117"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056233837","display_name":"Koichi Yamashita","orcid":"https://orcid.org/0000-0002-6226-3194","observed_orcids":["https://orcid.org/0000-0002-6226-3194"]},"institutions":[{"id":"https://openalex.org/I74801974","display_name":"The University of Tokyo","ror":"https://ror.org/057zh3y96","country_code":"JP","type":"education","lineage":["https://openalex.org/I74801974"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Koichi Yamashita","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, University of Tokyo, 7-3-1 Hongo, Tokyo 113, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, University of Tokyo, 7-3-1 Hongo, Tokyo 113, Japan","institution_ids":["https://openalex.org/I74801974"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020600412","display_name":"Keiji Morokuma","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I150468666","display_name":"Emory University","ror":"https://ror.org/03czfpz43","country_code":"US","type":"education","lineage":["https://openalex.org/I150468666"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Keiji Morokuma","raw_affiliation_strings":["Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322","institution_ids":["https://openalex.org/I150468666"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":4.1993,"has_fulltext":false,"cited_by_count":35,"citation_normalized_percentile":{"value":0.94833534,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":93},"biblio":{"volume":"104","issue":"24","first_page":"10055","last_page":"10058"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.4214000105857849,"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":0.4214000105857849,"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/T11261","display_name":"Quantum chaos and dynamical systems","score":0.12960000336170197,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.09769999980926514,"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/hydrogen-cyanide","display_name":"hydrogen cyanide","score":0.5339999794960022},{"id":"https://openalex.org/keywords/hcp","display_name":"HCP","score":0.5889999866485596},{"id":"https://openalex.org/keywords/bending-states","display_name":"bending states","score":0.5860000252723694},{"id":"https://openalex.org/keywords/normal-modes","display_name":"normal modes","score":0.6610000133514404},{"id":"https://openalex.org/keywords/isomerization","display_name":"isomerization","score":0.9070000052452087},{"id":"https://openalex.org/keywords/periodic-orbits","display_name":"periodic orbits","score":0.9409999847412109},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"potential energy surface","score":0.9010000228881836},{"id":"https://openalex.org/keywords/bound-states","display_name":"bound states","score":0.5730000138282776},{"id":"https://openalex.org/keywords/spectral-signatures","display_name":"spectral signatures","score":0.5440000295639038}],"concepts":[{"id":"https://openalex.org/C126661725","wikidata":"https://www.wikidata.org/wiki/Q903420","display_name":"Isomerization","level":3,"score":0.8226568102836609},{"id":"https://openalex.org/C87210426","wikidata":"https://www.wikidata.org/wiki/Q1072476","display_name":"Bending","level":2,"score":0.7105172872543335},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.6313261985778809},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.5895411968231201},{"id":"https://openalex.org/C2779696439","wikidata":"https://www.wikidata.org/wiki/Q7512811","display_name":"Signature (topology)","level":2,"score":0.5709725022315979},{"id":"https://openalex.org/C113603373","wikidata":"https://www.wikidata.org/wiki/Q2362761","display_name":"Wave function","level":2,"score":0.5411997437477112},{"id":"https://openalex.org/C48677424","wikidata":"https://www.wikidata.org/wiki/Q6888088","display_name":"Mode (computer interface)","level":2,"score":0.46671053767204285},{"id":"https://openalex.org/C174084160","wikidata":"https://www.wikidata.org/wiki/Q908049","display_name":"Bound state","level":2,"score":0.4648294448852539},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.433560311794281},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.42187556624412537},{"id":"https://openalex.org/C32758168","wikidata":"https://www.wikidata.org/wiki/Q900488","display_name":"Normal mode","level":3,"score":0.41204512119293213},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.36691778898239136},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3519352972507477},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.3322977125644684},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.31195005774497986},{"id":"https://openalex.org/C198394728","wikidata":"https://www.wikidata.org/wiki/Q3695508","display_name":"Vibration","level":2,"score":0.21353057026863098},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.18086370825767517},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.17438474297523499},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.15521946549415588},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.12252011895179749},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.10598251223564148},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.09798336029052734},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1063/1.471729","doi":"https://doi.org/10.1063/1.471729","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.471729","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W1987726159","https://openalex.org/W1989292739","https://openalex.org/W1989469882","https://openalex.org/W2015706965","https://openalex.org/W2073239068","https://openalex.org/W2093153564","https://openalex.org/W2121607432"],"related_works":["https://openalex.org/W2106926528","https://openalex.org/W575292123","https://openalex.org/W2095339562","https://openalex.org/W6959717571","https://openalex.org/W1968083997","https://openalex.org/W1981554282","https://openalex.org/W2093153564","https://openalex.org/W2093073609","https://openalex.org/W44860142","https://openalex.org/W196078910"],"abstract_inverted_index":{"We":[0],"present":[1],"exact":[2],"quantum":[3],"mechanical":[4],"bound-state":[5],"calculations":[6],"for":[7],"HCP":[8],"using":[9],"an":[10],"abinitio":[11],"potential":[12],"energy":[13],"surface.":[14],"The":[15],"main":[16],"result":[17],"is":[18],"the":[19,41,45,49],"existence":[20],"of":[21,25],"two":[22],"distinct":[23],"families":[24],"bending":[26,38],"states:":[27],"one":[28,43],"with":[29],"normal-mode-type":[30],"behavior":[31],"and":[32,40],"wave":[33],"functions":[34],"confined":[35],"to":[36,53,64],"small":[37],"angles":[39],"other":[42],"sampling":[44],"isomerization":[46],"path":[47],"all":[48],"way":[50],"from":[51],"H\u2013CP":[52],"CP\u2013H.":[54],"Stable":[55],"periodic":[56],"orbits":[57],"provide":[58],"a":[59],"clear-cut":[60],"assignment.":[61],"Possible":[62],"relations":[63],"recent":[65],"spectroscopic":[66],"observations":[67],"are":[68],"discussed.":[69]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}