Matches in SemOpenAlex for { <https://semopenalex.org/work/W2103218982> ?p ?o ?g. }
- W2103218982 endingPage "1148" @default.
- W2103218982 startingPage "1141" @default.
- W2103218982 abstract "We study, within a helicity decoupled quantum approximation, the total angular momentum J dependence of reaction probabilities for the reaction O(1D)+H2→OH+H. A recently developed real wave packet approach is employed for the quantum calculations. The abinitio based, ground electronic (1A′) potential energy surface of Ho etal. (T-S. Ho, T. Hollebeeck, H. Rabitz, L. B. Harding and G. C. Schatz, J. Chem. Phys., 1996, 105, 10472) is assumed for most of our calculations, although some calculations are also performed with a recent surface due to Dobbyn and Knowles. We find that the low J reaction probabilities tend to be, on average, slightly lower than the high J probabilities. This effect is also found to be reproduced in classical trajectory calculations. A new capture model is proposed that incorporates the available quantum data within an orbital angular momentum or l-shifting approximation to predict total cross sections and rate constants. The results agree well with classical trajectory results and the experimental rate constant at room temperature. However, electronically non-adiabatic effects may become important at higher temperature." @default.
- W2103218982 created "2016-06-24" @default.
- W2103218982 creator A5003622887 @default.
- W2103218982 creator A5027985208 @default.
- W2103218982 creator A5034966138 @default.
- W2103218982 creator A5064735594 @default.
- W2103218982 date "1999-01-01" @default.
- W2103218982 modified "2023-10-05" @default.
- W2103218982 title "Helicity decoupled quantum dynamics and capture model cross sections and rate constants for O(1D)+H2→OH+H" @default.
- W2103218982 cites W1486280273 @default.
- W2103218982 cites W1520269308 @default.
- W2103218982 cites W1588125747 @default.
- W2103218982 cites W1666338913 @default.
- W2103218982 cites W1977771571 @default.
- W2103218982 cites W1978635239 @default.
- W2103218982 cites W1984028139 @default.
- W2103218982 cites W1985915547 @default.
- W2103218982 cites W1986272596 @default.
- W2103218982 cites W1987997783 @default.
- W2103218982 cites W1988738006 @default.
- W2103218982 cites W1989192278 @default.
- W2103218982 cites W1993335855 @default.
- W2103218982 cites W1997339450 @default.
- W2103218982 cites W2001137695 @default.
- W2103218982 cites W2008726778 @default.
- W2103218982 cites W2015373663 @default.
- W2103218982 cites W2021902685 @default.
- W2103218982 cites W2026757539 @default.
- W2103218982 cites W2028634886 @default.
- W2103218982 cites W2031516267 @default.
- W2103218982 cites W2036281255 @default.
- W2103218982 cites W2038916919 @default.
- W2103218982 cites W2043003298 @default.
- W2103218982 cites W2050202546 @default.
- W2103218982 cites W2053501273 @default.
- W2103218982 cites W2055958078 @default.
- W2103218982 cites W2058120086 @default.
- W2103218982 cites W2061923074 @default.
- W2103218982 cites W2069195510 @default.
- W2103218982 cites W2070129330 @default.
- W2103218982 cites W2072411508 @default.
- W2103218982 cites W2072619837 @default.
- W2103218982 cites W2074042446 @default.
- W2103218982 cites W2075053313 @default.
- W2103218982 cites W2079838214 @default.
- W2103218982 cites W2082647258 @default.
- W2103218982 cites W2144870776 @default.
- W2103218982 doi "https://doi.org/10.1039/a809325c" @default.
- W2103218982 hasPublicationYear "1999" @default.
- W2103218982 type Work @default.
- W2103218982 sameAs 2103218982 @default.
- W2103218982 citedByCount "111" @default.
- W2103218982 countsByYear W21032189822012 @default.
- W2103218982 countsByYear W21032189822013 @default.
- W2103218982 countsByYear W21032189822014 @default.
- W2103218982 countsByYear W21032189822015 @default.
- W2103218982 countsByYear W21032189822016 @default.
- W2103218982 countsByYear W21032189822017 @default.
- W2103218982 countsByYear W21032189822018 @default.
- W2103218982 countsByYear W21032189822021 @default.
- W2103218982 countsByYear W21032189822022 @default.
- W2103218982 crossrefType "journal-article" @default.
- W2103218982 hasAuthorship W2103218982A5003622887 @default.
- W2103218982 hasAuthorship W2103218982A5027985208 @default.
- W2103218982 hasAuthorship W2103218982A5034966138 @default.
- W2103218982 hasAuthorship W2103218982A5064735594 @default.
- W2103218982 hasConcept C10138342 @default.
- W2103218982 hasConcept C106978608 @default.
- W2103218982 hasConcept C109663097 @default.
- W2103218982 hasConcept C121332964 @default.
- W2103218982 hasConcept C125277925 @default.
- W2103218982 hasConcept C148898269 @default.
- W2103218982 hasConcept C15184713 @default.
- W2103218982 hasConcept C155675718 @default.
- W2103218982 hasConcept C162324750 @default.
- W2103218982 hasConcept C184779094 @default.
- W2103218982 hasConcept C185592680 @default.
- W2103218982 hasConcept C2775859700 @default.
- W2103218982 hasConcept C2781442258 @default.
- W2103218982 hasConcept C40560622 @default.
- W2103218982 hasConcept C45193367 @default.
- W2103218982 hasConcept C60718061 @default.
- W2103218982 hasConcept C62520636 @default.
- W2103218982 hasConcept C84114770 @default.
- W2103218982 hasConcept C93391505 @default.
- W2103218982 hasConceptScore W2103218982C10138342 @default.
- W2103218982 hasConceptScore W2103218982C106978608 @default.
- W2103218982 hasConceptScore W2103218982C109663097 @default.
- W2103218982 hasConceptScore W2103218982C121332964 @default.
- W2103218982 hasConceptScore W2103218982C125277925 @default.
- W2103218982 hasConceptScore W2103218982C148898269 @default.
- W2103218982 hasConceptScore W2103218982C15184713 @default.
- W2103218982 hasConceptScore W2103218982C155675718 @default.
- W2103218982 hasConceptScore W2103218982C162324750 @default.
- W2103218982 hasConceptScore W2103218982C184779094 @default.
- W2103218982 hasConceptScore W2103218982C185592680 @default.
- W2103218982 hasConceptScore W2103218982C2775859700 @default.
- W2103218982 hasConceptScore W2103218982C2781442258 @default.