{"id":"https://openalex.org/W2100106243","doi":"https://doi.org/10.1002/jcc.21349","title":"Transition state theory with Tsallis statistics","display_name":"Transition state theory with Tsallis statistics","publication_year":2009,"publication_date":"2009-06-15","ids":{"openalex":"https://openalex.org/W2100106243","doi":"https://doi.org/10.1002/jcc.21349","mag":"2100106243","pmid":"https://pubmed.ncbi.nlm.nih.gov/19530113"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.21349","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.21349","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational 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/A5059932944","display_name":"Wolfgang Quapp","orcid":"https://orcid.org/0000-0002-0366-1408"},"institutions":[{"id":"https://openalex.org/I926574661","display_name":"Leipzig University","ror":"https://ror.org/03s7gtk40","country_code":"DE","type":"education","lineage":["https://openalex.org/I926574661"]},{"id":"https://openalex.org/I147765834","display_name":"Leipzig University of Applied Sciences","ror":"https://ror.org/03xgcq477","country_code":"DE","type":"education","lineage":["https://openalex.org/I147765834"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Wolfgang Quapp","raw_affiliation_strings":["Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany. quapp@uni-leipzig.de","Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany"],"affiliations":[{"raw_affiliation_string":"Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany. quapp@uni-leipzig.de","institution_ids":["https://openalex.org/I926574661","https://openalex.org/I147765834"]},{"raw_affiliation_string":"Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany","institution_ids":["https://openalex.org/I926574661"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5031724647","display_name":"Alraune Zech","orcid":"https://orcid.org/0000-0002-8783-6198"},"institutions":[{"id":"https://openalex.org/I926574661","display_name":"Leipzig University","ror":"https://ror.org/03s7gtk40","country_code":"DE","type":"education","lineage":["https://openalex.org/I926574661"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Alraune Zech","raw_affiliation_strings":["Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany"],"affiliations":[{"raw_affiliation_string":"Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany","institution_ids":["https://openalex.org/I926574661"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5059932944"],"corresponding_institution_ids":["https://openalex.org/I147765834","https://openalex.org/I926574661"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.4424,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.82955923,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"31","issue":"3","first_page":"573","last_page":"585"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12261","display_name":"Statistical Mechanics and Entropy","score":0.9997000098228455,"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/T12261","display_name":"Statistical Mechanics and Entropy","score":0.9997000098228455,"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/T11520","display_name":"Advanced Thermodynamics and Statistical Mechanics","score":0.9925000071525574,"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/T11270","display_name":"Complex Systems and Time Series Analysis","score":0.955299973487854,"subfield":{"id":"https://openalex.org/subfields/2002","display_name":"Economics and Econometrics"},"field":{"id":"https://openalex.org/fields/20","display_name":"Economics, Econometrics and Finance"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/saddle-point","display_name":"Saddle point","score":0.7099472880363464},{"id":"https://openalex.org/keywords/tsallis-statistics","display_name":"Tsallis statistics","score":0.677431046962738},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.5661061406135559},{"id":"https://openalex.org/keywords/transition-state","display_name":"Transition state","score":0.5201733112335205},{"id":"https://openalex.org/keywords/reaction-rate","display_name":"Reaction rate","score":0.49064984917640686},{"id":"https://openalex.org/keywords/partition","display_name":"Partition (number theory)","score":0.4545820951461792},{"id":"https://openalex.org/keywords/transition-state-theory","display_name":"Transition state theory","score":0.44650816917419434},{"id":"https://openalex.org/keywords/isomerization","display_name":"Isomerization","score":0.4330097734928131},{"id":"https://openalex.org/keywords/factorization","display_name":"Factorization","score":0.4285040497779846},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"Potential energy surface","score":0.4196537733078003},{"id":"https://openalex.org/keywords/gibbs-free-energy","display_name":"Gibbs free energy","score":0.410249263048172},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3989565372467041},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3404954671859741},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.3404209613800049},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3272969722747803},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2916530668735504},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.2707558274269104},{"id":"https://openalex.org/keywords/reaction-rate-constant","display_name":"Reaction rate constant","score":0.2044084370136261},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.1353791356086731},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.08398336172103882},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.07793241739273071}],"concepts":[{"id":"https://openalex.org/C2681867","wikidata":"https://www.wikidata.org/wiki/Q690935","display_name":"Saddle point","level":2,"score":0.7099472880363464},{"id":"https://openalex.org/C2780056601","wikidata":"https://www.wikidata.org/wiki/Q7849339","display_name":"Tsallis statistics","level":2,"score":0.677431046962738},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5661061406135559},{"id":"https://openalex.org/C89031862","wikidata":"https://www.wikidata.org/wiki/Q906964","display_name":"Transition state","level":3,"score":0.5201733112335205},{"id":"https://openalex.org/C175113610","wikidata":"https://www.wikidata.org/wiki/Q3394849","display_name":"Reaction rate","level":3,"score":0.49064984917640686},{"id":"https://openalex.org/C42812","wikidata":"https://www.wikidata.org/wiki/Q1082910","display_name":"Partition (number theory)","level":2,"score":0.4545820951461792},{"id":"https://openalex.org/C57476982","wikidata":"https://www.wikidata.org/wiki/Q582857","display_name":"Transition state theory","level":4,"score":0.44650816917419434},{"id":"https://openalex.org/C126661725","wikidata":"https://www.wikidata.org/wiki/Q903420","display_name":"Isomerization","level":3,"score":0.4330097734928131},{"id":"https://openalex.org/C187834632","wikidata":"https://www.wikidata.org/wiki/Q188804","display_name":"Factorization","level":2,"score":0.4285040497779846},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.4196537733078003},{"id":"https://openalex.org/C146477669","wikidata":"https://www.wikidata.org/wiki/Q334631","display_name":"Gibbs free energy","level":2,"score":0.410249263048172},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3989565372467041},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3404954671859741},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.3404209613800049},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3272969722747803},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2916530668735504},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.2707558274269104},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.2044084370136261},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.1353791356086731},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.08398336172103882},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.07793241739273071},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.21349","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.21349","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:19530113","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19530113","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":"Journal of computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.8399999737739563,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":83,"referenced_works":["https://openalex.org/W97737013","https://openalex.org/W585225223","https://openalex.org/W658638790","https://openalex.org/W1487768197","https://openalex.org/W1494172990","https://openalex.org/W1512716428","https://openalex.org/W1564500292","https://openalex.org/W1822373189","https://openalex.org/W1964056980","https://openalex.org/W1964632089","https://openalex.org/W1970414614","https://openalex.org/W1970542448","https://openalex.org/W1971681667","https://openalex.org/W1974558570","https://openalex.org/W1983874169","https://openalex.org/W1989504378","https://openalex.org/W1992803403","https://openalex.org/W1997807078","https://openalex.org/W2006829433","https://openalex.org/W2012141412","https://openalex.org/W2012554357","https://openalex.org/W2013206995","https://openalex.org/W2015675299","https://openalex.org/W2025396755","https://openalex.org/W2027148335","https://openalex.org/W2028633428","https://openalex.org/W2029441127","https://openalex.org/W2031159246","https://openalex.org/W2033925128","https://openalex.org/W2034315740","https://openalex.org/W2038578597","https://openalex.org/W2039933994","https://openalex.org/W2041442662","https://openalex.org/W2046002177","https://openalex.org/W2046149581","https://openalex.org/W2046170388","https://openalex.org/W2046454231","https://openalex.org/W2047529218","https://openalex.org/W2049262655","https://openalex.org/W2051699008","https://openalex.org/W2054095018","https://openalex.org/W2055468061","https://openalex.org/W2057980421","https://openalex.org/W2059605663","https://openalex.org/W2060469807","https://openalex.org/W2062879868","https://openalex.org/W2063216279","https://openalex.org/W2063394267","https://openalex.org/W2063827696","https://openalex.org/W2069264922","https://openalex.org/W2071868875","https://openalex.org/W2076378557","https://openalex.org/W2078664343","https://openalex.org/W2079250890","https://openalex.org/W2085132749","https://openalex.org/W2087344755","https://openalex.org/W2089759714","https://openalex.org/W2089852843","https://openalex.org/W2091073019","https://openalex.org/W2091452754","https://openalex.org/W2091515067","https://openalex.org/W2094072492","https://openalex.org/W2094734122","https://openalex.org/W2097504123","https://openalex.org/W2102203310","https://openalex.org/W2117860319","https://openalex.org/W2124201845","https://openalex.org/W2128035454","https://openalex.org/W2135173718","https://openalex.org/W2135249818","https://openalex.org/W2140871833","https://openalex.org/W2144514719","https://openalex.org/W2483500811","https://openalex.org/W2917189667","https://openalex.org/W2952202929","https://openalex.org/W3100036509","https://openalex.org/W3102710423","https://openalex.org/W3104885205","https://openalex.org/W3105929777","https://openalex.org/W4213170058","https://openalex.org/W4233261263","https://openalex.org/W4236185522","https://openalex.org/W4243372013"],"related_works":["https://openalex.org/W2036365018","https://openalex.org/W2319832848","https://openalex.org/W2324822375","https://openalex.org/W2081567253","https://openalex.org/W2248924491","https://openalex.org/W2520889707","https://openalex.org/W2006550696","https://openalex.org/W1967922568","https://openalex.org/W2469912697","https://openalex.org/W1976700847"],"abstract_inverted_index":{"We":[0,9,81,114],"discuss":[1],"the":[2,11,20,35,40,47,52,60,65,69,74,78,85,89,101,107,111,125,147,161,178],"rate":[3,76],"of":[4,31,51,57,59,62,93,110,117,124,146,177],"an":[5,172],"elementary":[6],"chemical":[7],"reaction.":[8],"use":[10,84,115],"reaction":[12,25,33,53,75,139,162,179],"path":[13,26],"and":[14,29,67,134,159],"especially":[15],"its":[16],"saddle":[17,49],"point":[18,50],"on":[19,138],"potential":[21],"energy":[22],"surface.":[23],"The":[24,121,141,150],"connects":[27],"reactant":[28,66],"product":[30],"a":[32,91,144],"over":[34],"transition":[36],"state":[37],"(TS).":[38],"Usually,":[39],"TS":[41],"is":[42,106,152],"assumed":[43],"near":[44],"or":[45],"at":[46,64,68,88],"single":[48],"path.":[54],"By":[55],"means":[56],"comparison":[58],"statistics":[61,87,92,126],"states":[63],"TS,":[70,90],"one":[71],"can":[72],"estimate":[73],"by":[77],"Eyring":[79],"theory.":[80],"propose":[82,98],"to":[83,99,129,154,157,160],"Tsallis":[86,112],"seldom":[94],"accidents.":[95],"Thus,":[96],"we":[97],"generalize":[100],"well-known":[102],"Boltzmann-Gibbs":[103],"statistics,":[104],"which":[105],"limiting":[108],"case":[109],"statistics.":[113],"features":[116],"this":[118],"nonextensive":[119],"thermostatistics.":[120],"basic":[122],"properties":[123],"are":[127,136],"used":[128],"derive":[130],"(approximated)":[131],"partition":[132,148],"functions,":[133],"they":[135],"applied":[137,153],"rates.":[140,180],"approximation":[142],"includes":[143],"factorization":[145],"functions.":[149],"theory":[151],"HCN":[155],"isomerization":[156],"HNC,":[158],"H(2)":[163],"+":[164,168],"CN":[165],"-->":[166],"H":[167],"HCN.":[169],"It":[170],"allows":[171],"accordance":[173],"with":[174],"experimental":[175],"estimations":[176]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}