Matches in SemOpenAlex for { <https://semopenalex.org/work/W2100106243> ?p ?o ?g. }
- W2100106243 endingPage "585" @default.
- W2100106243 startingPage "573" @default.
- W2100106243 abstract "Abstract We discuss the rate of an elementary chemical reaction. We use the reaction path and especially its saddle point on the potential energy surface. The reaction path connects reactant and product of a reaction over the transition state (TS). Usually, the TS is assumed near or at the single saddle point of the reaction path. By means of comparison of the statistics of states at the reactant and at the TS, one can estimate the reaction rate by the Eyring theory. We propose to use the Tsallis statistics at the TS, a statistics of seldom accidents. Thus, we propose to generalize the well‐known Boltzmann–Gibbs statistics, which is the limiting case of the Tsallis statistics. We use features of this nonextensive thermostatistics. The basic properties of the statistics are used to derive (approximated) partition functions, and they are applied on reaction rates. The approximation includes a factorization of the partition functions. The theory is applied to HCN isomerization to HNC, and to the reaction H 2 + CN → H + HCN. It allows an accordance with experimental estimations of the reaction rates. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010" @default.
- W2100106243 created "2016-06-24" @default.
- W2100106243 creator A5031724647 @default.
- W2100106243 creator A5059932944 @default.
- W2100106243 date "2009-06-15" @default.
- W2100106243 modified "2023-10-18" @default.
- W2100106243 title "Transition state theory with Tsallis statistics" @default.
- W2100106243 cites W1487768197 @default.
- W2100106243 cites W1494172990 @default.
- W2100106243 cites W1512716428 @default.
- W2100106243 cites W1964632089 @default.
- W2100106243 cites W1970414614 @default.
- W2100106243 cites W1970542448 @default.
- W2100106243 cites W1971681667 @default.
- W2100106243 cites W1974558570 @default.
- W2100106243 cites W1983874169 @default.
- W2100106243 cites W1992803403 @default.
- W2100106243 cites W1997807078 @default.
- W2100106243 cites W2006829433 @default.
- W2100106243 cites W2012141412 @default.
- W2100106243 cites W2012554357 @default.
- W2100106243 cites W2013206995 @default.
- W2100106243 cites W2015675299 @default.
- W2100106243 cites W2025396755 @default.
- W2100106243 cites W2027148335 @default.
- W2100106243 cites W2028633428 @default.
- W2100106243 cites W2029441127 @default.
- W2100106243 cites W2031159246 @default.
- W2100106243 cites W2033925128 @default.
- W2100106243 cites W2034315740 @default.
- W2100106243 cites W2038578597 @default.
- W2100106243 cites W2039933994 @default.
- W2100106243 cites W2041442662 @default.
- W2100106243 cites W2046170388 @default.
- W2100106243 cites W2046454231 @default.
- W2100106243 cites W2047529218 @default.
- W2100106243 cites W2049262655 @default.
- W2100106243 cites W2051699008 @default.
- W2100106243 cites W2054095018 @default.
- W2100106243 cites W2055468061 @default.
- W2100106243 cites W2057980421 @default.
- W2100106243 cites W2059605663 @default.
- W2100106243 cites W2060469807 @default.
- W2100106243 cites W2062879868 @default.
- W2100106243 cites W2063216279 @default.
- W2100106243 cites W2063394267 @default.
- W2100106243 cites W2063827696 @default.
- W2100106243 cites W2069264922 @default.
- W2100106243 cites W2071868875 @default.
- W2100106243 cites W2076378557 @default.
- W2100106243 cites W2078664343 @default.
- W2100106243 cites W2079250890 @default.
- W2100106243 cites W2085132749 @default.
- W2100106243 cites W2087344755 @default.
- W2100106243 cites W2089759714 @default.
- W2100106243 cites W2089852843 @default.
- W2100106243 cites W2091073019 @default.
- W2100106243 cites W2091452754 @default.
- W2100106243 cites W2091515067 @default.
- W2100106243 cites W2094072492 @default.
- W2100106243 cites W2094734122 @default.
- W2100106243 cites W2097504123 @default.
- W2100106243 cites W2102203310 @default.
- W2100106243 cites W2117860319 @default.
- W2100106243 cites W2124201845 @default.
- W2100106243 cites W2128035454 @default.
- W2100106243 cites W2135173718 @default.
- W2100106243 cites W2135249818 @default.
- W2100106243 cites W2140871833 @default.
- W2100106243 cites W2144514719 @default.
- W2100106243 cites W2483500811 @default.
- W2100106243 cites W2917189667 @default.
- W2100106243 cites W2952202929 @default.
- W2100106243 cites W3104885205 @default.
- W2100106243 cites W3105929777 @default.
- W2100106243 cites W4233261263 @default.
- W2100106243 cites W4236185522 @default.
- W2100106243 cites W4243372013 @default.
- W2100106243 cites W658638790 @default.
- W2100106243 cites W97737013 @default.
- W2100106243 doi "https://doi.org/10.1002/jcc.21349" @default.
- W2100106243 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19530113" @default.
- W2100106243 hasPublicationYear "2009" @default.
- W2100106243 type Work @default.
- W2100106243 sameAs 2100106243 @default.
- W2100106243 citedByCount "7" @default.
- W2100106243 countsByYear W21001062432013 @default.
- W2100106243 countsByYear W21001062432014 @default.
- W2100106243 countsByYear W21001062432017 @default.
- W2100106243 countsByYear W21001062432022 @default.
- W2100106243 crossrefType "journal-article" @default.
- W2100106243 hasAuthorship W2100106243A5031724647 @default.
- W2100106243 hasAuthorship W2100106243A5059932944 @default.
- W2100106243 hasConcept C105795698 @default.
- W2100106243 hasConcept C11413529 @default.
- W2100106243 hasConcept C114614502 @default.
- W2100106243 hasConcept C121332964 @default.
- W2100106243 hasConcept C121864883 @default.