FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2029404150> ?p ?o ?g. }

• W2029404150 endingPage "4319" @default.
• W2029404150 startingPage "4311" @default.
• W2029404150 abstract "An accurate quantum scattering calculation for the Cl+HCl→ClH+Cl reaction has been performed. In particular, we study the influence of the lowest transition state resonance on the energy dependence of the state‐to‐state integral cross sections and product rovibrational distributions. The calculations use a recently developed centrifugal sudden hyperspherical (CSH) coordinate reactive scattering code. The Bondi–Connor–Manz–Römelt semiempirical potential energy surface is employed. All 161 partial waves needed for the convergence of the cross sections are included in the calculations. We find that the resonance perturbs certain reagent and product rotational levels of the vibrational ground state (v=0, j=14–16), as well as all open rotational levels (j=0–8) of the first vibrationally excited state (v=1). Transitions from the ground reagent to the ground product vibrational state, such as v=0, j=15→v’=0, j ’=15, show almost no resonance structure in the integral cross sections; rather direct scattering dominates the partial wave sum. On the other hand, transitions between perturbed v=0 rotational states and any v’=1 rotational state, or between any v=1 state and perturbed v’=0 states, or between any v=1 and any v’=1 state, show a novel resonance feature in the integral cross sections. This novel feature is a sudden smooth ‘‘step’’ in the integral cross section, centered at the resonance energy for the partial wave with zero total angular momentum quantum number (J=0). The step has a width equal to the J=0 resonance width. Sometimes this step is superimposed on a slowly varying background which arises from direct scattering. A quantitative description of these resonant steps in the integral cross sections is developed using a J‐shift approximation. Because the resonance influences all rotational states for v=v’=1 in a similar way, there is no significant effect on the product rotational distributions due to the resonance. However, the resonance does produce detectable stepping behavior in the product vibrational distribution." @default.
• W2029404150 created "2016-06-24" @default.
• W2029404150 creator A5008204724 @default.
• W2029404150 creator A5059169293 @default.
• W2029404150 creator A5064735594 @default.
• W2029404150 date "1991-03-15" @default.
• W2029404150 modified "2023-09-26" @default.
• W2029404150 title "Influence of transition state resonances on integral cross sections and product rovibrational distributions for the Cl+HCl→ClH+Cl reaction" @default.
• W2029404150 cites W12215761 @default.
• W2029404150 cites W1569831844 @default.
• W2029404150 cites W1965982178 @default.
• W2029404150 cites W1967775312 @default.
• W2029404150 cites W1969383208 @default.
• W2029404150 cites W1970445348 @default.
• W2029404150 cites W1972287807 @default.
• W2029404150 cites W1979441116 @default.
• W2029404150 cites W1981840092 @default.
• W2029404150 cites W1982915824 @default.
• W2029404150 cites W1983543869 @default.
• W2029404150 cites W1984971795 @default.
• W2029404150 cites W1985861446 @default.
• W2029404150 cites W1994924420 @default.
• W2029404150 cites W1995290499 @default.
• W2029404150 cites W1997863705 @default.
• W2029404150 cites W2004244334 @default.
• W2029404150 cites W2004497312 @default.
• W2029404150 cites W2008726778 @default.
• W2029404150 cites W2012954055 @default.
• W2029404150 cites W2013282550 @default.
• W2029404150 cites W2018536083 @default.
• W2029404150 cites W2021788644 @default.
• W2029404150 cites W2023216004 @default.
• W2029404150 cites W2023413185 @default.
• W2029404150 cites W2030029850 @default.
• W2029404150 cites W2037418078 @default.
• W2029404150 cites W2042738788 @default.
• W2029404150 cites W2044295442 @default.
• W2029404150 cites W2044971787 @default.
• W2029404150 cites W2045924284 @default.
• W2029404150 cites W2052307637 @default.
• W2029404150 cites W2057821885 @default.
• W2029404150 cites W2070632586 @default.
• W2029404150 cites W2071257583 @default.
• W2029404150 cites W2076936064 @default.
• W2029404150 cites W2080458287 @default.
• W2029404150 cites W2087713107 @default.
• W2029404150 cites W2125548026 @default.
• W2029404150 cites W2136595681 @default.
• W2029404150 cites W2145325818 @default.
• W2029404150 cites W2156386475 @default.
• W2029404150 cites W235968502 @default.
• W2029404150 cites W286416546 @default.
• W2029404150 cites W2917189667 @default.
• W2029404150 cites W4235859997 @default.
• W2029404150 cites W4252633422 @default.
• W2029404150 cites W61595939 @default.
• W2029404150 doi "https://doi.org/10.1063/1.460617" @default.
• W2029404150 hasPublicationYear "1991" @default.
• W2029404150 type Work @default.
• W2029404150 sameAs 2029404150 @default.
• W2029404150 citedByCount "39" @default.
• W2029404150 countsByYear W20294041502012 @default.
• W2029404150 countsByYear W20294041502016 @default.
• W2029404150 countsByYear W20294041502018 @default.
• W2029404150 crossrefType "journal-article" @default.
• W2029404150 hasAuthorship W2029404150A5008204724 @default.
• W2029404150 hasAuthorship W2029404150A5059169293 @default.
• W2029404150 hasAuthorship W2029404150A5064735594 @default.
• W2029404150 hasConcept C121332964 @default.
• W2029404150 hasConcept C125277925 @default.
• W2029404150 hasConcept C139210041 @default.
• W2029404150 hasConcept C167812310 @default.
• W2029404150 hasConcept C174038435 @default.
• W2029404150 hasConcept C178790620 @default.
• W2029404150 hasConcept C181500209 @default.
• W2029404150 hasConcept C184779094 @default.
• W2029404150 hasConcept C185592680 @default.
• W2029404150 hasConcept C191486275 @default.
• W2029404150 hasConcept C32909587 @default.
• W2029404150 hasConcept C39190425 @default.
• W2029404150 hasConcept C62520636 @default.
• W2029404150 hasConcept C69523127 @default.
• W2029404150 hasConceptScore W2029404150C121332964 @default.
• W2029404150 hasConceptScore W2029404150C125277925 @default.
• W2029404150 hasConceptScore W2029404150C139210041 @default.
• W2029404150 hasConceptScore W2029404150C167812310 @default.
• W2029404150 hasConceptScore W2029404150C174038435 @default.
• W2029404150 hasConceptScore W2029404150C178790620 @default.
• W2029404150 hasConceptScore W2029404150C181500209 @default.
• W2029404150 hasConceptScore W2029404150C184779094 @default.
• W2029404150 hasConceptScore W2029404150C185592680 @default.
• W2029404150 hasConceptScore W2029404150C191486275 @default.
• W2029404150 hasConceptScore W2029404150C32909587 @default.
• W2029404150 hasConceptScore W2029404150C39190425 @default.
• W2029404150 hasConceptScore W2029404150C62520636 @default.
• W2029404150 hasConceptScore W2029404150C69523127 @default.
• W2029404150 hasIssue "6" @default.
• W2029404150 hasLocation W20294041501 @default.

• next