Matches in SemOpenAlex for { <https://semopenalex.org/work/W1991587789> ?p ?o ?g. }
Showing items 1 to 54 of
54
with 100 items per page.
- W1991587789 endingPage "218" @default.
- W1991587789 startingPage "215" @default.
- W1991587789 abstract "The triplet and singlet potential energy surfaces (PES) for O(3P,1D) + CF3Br reactions have been studied using the density functional method at the B3LYP level. Geometries, energies, and vibrational frequencies of CF3Br, CF3BrO (1A‘ and 3A‘ ‘), CF3OBr (1A‘), CF3, BrO, CF2O, BrF, and CF2O−BrF complexes have been examined. Transition states connecting these species have been characterized and the whole potential surfaces could satisfactorily describe the O + CF3Br reactions. In the gas phase, the OBr radical is the main product on both the singlet and triplet PESs. In a condensed matrix, however, CF3OBr should be the dominant product generating from the recombination of nascent CF3 + OBr." @default.
- W1991587789 created "2016-06-24" @default.
- W1991587789 creator A5038050153 @default.
- W1991587789 creator A5040548876 @default.
- W1991587789 date "2000-12-12" @default.
- W1991587789 modified "2023-09-24" @default.
- W1991587789 title "Computational Studies on the Reaction Pathways of CF<sub>3</sub>Br with O(<sup>1</sup>D,<sup>3</sup>P) Atoms" @default.
- W1991587789 cites W1985586849 @default.
- W1991587789 cites W1990954764 @default.
- W1991587789 cites W1991802186 @default.
- W1991587789 cites W2003427200 @default.
- W1991587789 cites W2017432553 @default.
- W1991587789 cites W2074442881 @default.
- W1991587789 cites W2080275448 @default.
- W1991587789 cites W2106181195 @default.
- W1991587789 cites W2114322587 @default.
- W1991587789 cites W2129933121 @default.
- W1991587789 cites W2139916893 @default.
- W1991587789 cites W2143981217 @default.
- W1991587789 cites W2156475134 @default.
- W1991587789 cites W2463103058 @default.
- W1991587789 cites W3083311034 @default.
- W1991587789 doi "https://doi.org/10.1021/jp0025330" @default.
- W1991587789 hasPublicationYear "2000" @default.
- W1991587789 type Work @default.
- W1991587789 sameAs 1991587789 @default.
- W1991587789 citedByCount "6" @default.
- W1991587789 countsByYear W19915877892018 @default.
- W1991587789 crossrefType "journal-article" @default.
- W1991587789 hasAuthorship W1991587789A5038050153 @default.
- W1991587789 hasAuthorship W1991587789A5040548876 @default.
- W1991587789 hasConcept C185592680 @default.
- W1991587789 hasConceptScore W1991587789C185592680 @default.
- W1991587789 hasIssue "1" @default.
- W1991587789 hasLocation W19915877891 @default.
- W1991587789 hasOpenAccess W1991587789 @default.
- W1991587789 hasPrimaryLocation W19915877891 @default.
- W1991587789 hasRelatedWork W1531601525 @default.
- W1991587789 hasRelatedWork W1990781990 @default.
- W1991587789 hasRelatedWork W2314643286 @default.
- W1991587789 hasRelatedWork W2344122601 @default.
- W1991587789 hasRelatedWork W2606230654 @default.
- W1991587789 hasRelatedWork W2607424097 @default.
- W1991587789 hasRelatedWork W2748952813 @default.
- W1991587789 hasRelatedWork W2899084033 @default.
- W1991587789 hasRelatedWork W2948807893 @default.
- W1991587789 hasRelatedWork W2778153218 @default.
- W1991587789 hasVolume "105" @default.
- W1991587789 isParatext "false" @default.
- W1991587789 isRetracted "false" @default.
- W1991587789 magId "1991587789" @default.
- W1991587789 workType "article" @default.