FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2099392360> ?p ?o ?g. }

• W2099392360 endingPage "1190" @default.
• W2099392360 startingPage "1181" @default.
• W2099392360 abstract "Reduced dimensionality quantum scattering calculations are performed on the Cl+CH4HCl+CH3 reaction using a rotating line umbrella (RLU) model. The breaking and forming bonds are treated explicitly as is the umbrella motion (ν2) in CH3 and the correlating motion (ν4) in CH4. A potential energy surface, where the zero-point energy of the modes not explicitly treated in the scattering calculations are approximately included, has been constructed from a surface for CH4, due to Hase and collaborators, and an LEPS function, treating the reactive bonds. The calculations are carried out using a log-derivative propagation method in hypercylindrical coordinates. A single-sector hyperspherical projection method has been developed for applying boundary conditions. The forward reaction rate is enhanced by placing one quantum either in the ν3b mode of CH4, corresponding to the breaking bond, or the ν4 mode. The reverse reaction is enhanced by placing one quantum in the HCl vibration but is impeded by placing a quantum in the CH3 umbrella mode. For Cl+CH4(ν3b=1)→HCl(ν=1)+CH3 and a translational energy of 0.159 eV, calculated differential cross-sections give predominantly forward and sideways scattering without excitation of the umbrella motion of CH3. For Cl+CH4(ν3b=1)→HCl(ν=0)+CH3 there is predominantly backward scattering with excitation of the umbrella mode. Comparison with experimental measurements is made." @default.
• W2099392360 created "2016-06-24" @default.
• W2099392360 creator A5006049145 @default.
• W2099392360 creator A5011185258 @default.
• W2099392360 date "1999-01-01" @default.
• W2099392360 modified "2023-09-24" @default.
• W2099392360 title "Three-dimensional quantum scattering calculations on the Cl+CH4HCl+CH3 reaction" @default.
• W2099392360 cites W1565486215 @default.
• W2099392360 cites W1969291135 @default.
• W2099392360 cites W1973997098 @default.
• W2099392360 cites W1985642740 @default.
• W2099392360 cites W1988731246 @default.
• W2099392360 cites W1991096211 @default.
• W2099392360 cites W1991782975 @default.
• W2099392360 cites W2005067743 @default.
• W2099392360 cites W2020144601 @default.
• W2099392360 cites W2040502491 @default.
• W2099392360 cites W2045219425 @default.
• W2099392360 cites W2050613677 @default.
• W2099392360 cites W2053430267 @default.
• W2099392360 cites W2053437320 @default.
• W2099392360 cites W2054230964 @default.
• W2099392360 cites W2060787498 @default.
• W2099392360 cites W2065372329 @default.
• W2099392360 cites W2065696610 @default.
• W2099392360 cites W2066711016 @default.
• W2099392360 cites W2069455623 @default.
• W2099392360 cites W2071534162 @default.
• W2099392360 cites W2071818085 @default.
• W2099392360 cites W2072023209 @default.
• W2099392360 cites W2072553895 @default.
• W2099392360 cites W2073777025 @default.
• W2099392360 cites W2074886541 @default.
• W2099392360 cites W2078620360 @default.
• W2099392360 cites W2085753628 @default.
• W2099392360 cites W2087225946 @default.
• W2099392360 cites W2090551732 @default.
• W2099392360 cites W2093171929 @default.
• W2099392360 cites W2130021866 @default.
• W2099392360 cites W2131120116 @default.
• W2099392360 cites W2005903784 @default.
• W2099392360 doi "https://doi.org/10.1039/a807634k" @default.
• W2099392360 hasPublicationYear "1999" @default.
• W2099392360 type Work @default.
• W2099392360 sameAs 2099392360 @default.
• W2099392360 citedByCount "64" @default.
• W2099392360 countsByYear W20993923602012 @default.
• W2099392360 countsByYear W20993923602013 @default.
• W2099392360 countsByYear W20993923602014 @default.
• W2099392360 countsByYear W20993923602015 @default.
• W2099392360 countsByYear W20993923602016 @default.
• W2099392360 countsByYear W20993923602020 @default.
• W2099392360 countsByYear W20993923602021 @default.
• W2099392360 countsByYear W20993923602022 @default.
• W2099392360 crossrefType "journal-article" @default.
• W2099392360 hasAuthorship W2099392360A5006049145 @default.
• W2099392360 hasAuthorship W2099392360A5011185258 @default.
• W2099392360 hasConcept C121332964 @default.
• W2099392360 hasConcept C125277925 @default.
• W2099392360 hasConcept C178790620 @default.
• W2099392360 hasConcept C184779094 @default.
• W2099392360 hasConcept C185592680 @default.
• W2099392360 hasConcept C191486275 @default.
• W2099392360 hasConcept C32909587 @default.
• W2099392360 hasConcept C41999313 @default.
• W2099392360 hasConcept C53104380 @default.
• W2099392360 hasConcept C62520636 @default.
• W2099392360 hasConcept C83581075 @default.
• W2099392360 hasConcept C84114770 @default.
• W2099392360 hasConcept C84551667 @default.
• W2099392360 hasConceptScore W2099392360C121332964 @default.
• W2099392360 hasConceptScore W2099392360C125277925 @default.
• W2099392360 hasConceptScore W2099392360C178790620 @default.
• W2099392360 hasConceptScore W2099392360C184779094 @default.
• W2099392360 hasConceptScore W2099392360C185592680 @default.
• W2099392360 hasConceptScore W2099392360C191486275 @default.
• W2099392360 hasConceptScore W2099392360C32909587 @default.
• W2099392360 hasConceptScore W2099392360C41999313 @default.
• W2099392360 hasConceptScore W2099392360C53104380 @default.
• W2099392360 hasConceptScore W2099392360C62520636 @default.
• W2099392360 hasConceptScore W2099392360C83581075 @default.
• W2099392360 hasConceptScore W2099392360C84114770 @default.
• W2099392360 hasConceptScore W2099392360C84551667 @default.
• W2099392360 hasIssue "6" @default.
• W2099392360 hasLocation W20993923601 @default.
• W2099392360 hasOpenAccess W2099392360 @default.
• W2099392360 hasPrimaryLocation W20993923601 @default.
• W2099392360 hasRelatedWork W1967151830 @default.
• W2099392360 hasRelatedWork W1968900761 @default.
• W2099392360 hasRelatedWork W2003785510 @default.
• W2099392360 hasRelatedWork W2047007799 @default.
• W2099392360 hasRelatedWork W2060443840 @default.
• W2099392360 hasRelatedWork W2062223626 @default.
• W2099392360 hasRelatedWork W2064334379 @default.
• W2099392360 hasRelatedWork W2135715575 @default.
• W2099392360 hasRelatedWork W2147492442 @default.
• W2099392360 hasRelatedWork W3198599648 @default.
• W2099392360 hasVolume "1" @default.

• next