FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1542329221> ?p ?o ?g. }

• W1542329221 endingPage "257" @default.
• W1542329221 startingPage "249" @default.
• W1542329221 abstract "The potential energy surface (PES) for the reaction of E,E-pentadienyl with molecular oxygen was theoretically studied at the G3B3//B3LYP/6-311G(d,p) level of theory. The first step of the reaction was found to be the direct adduction of molecular O2 on either the C1 or the C3 atoms of E,E-pentadienyl, forming two C5H7O2 isomers. These two C5H7O2 isomers undergo a series of isomerization processes through either the hydrogen-transfer or cyclization pathway. In the final step, the hydrogen-transferred and cyclized isomers decompose into unsaturated aldehydes, unsaturated ketones, and hydroxyl radicals. Involves 20 stable species and 14 transition states, and the energies and structures of all reactants, products and transition states were calculated. Based on the calculated barriers and heats of formation, the authors suggest that the C2H3O+C3H4O formation channel is the dominant channel for the C5H7 +O2 reaction. The possible existence of C5H7O2 radicals as long lifetime intermediates is also proposed, which is consistent with the recent photoionization mass spectrometric experiments by Zils et al." @default.
• W1542329221 created "2016-06-24" @default.
• W1542329221 creator A5021781600 @default.
• W1542329221 creator A5038876452 @default.
• W1542329221 creator A5043253857 @default.
• W1542329221 creator A5069819167 @default.
• W1542329221 date "2007-06-01" @default.
• W1542329221 modified "2023-10-12" @default.
• W1542329221 title "Theoretical Study on Mechanism of C5H7 +O2 Reaction" @default.
• W1542329221 cites W1962415203 @default.
• W1542329221 cites W1966685711 @default.
• W1542329221 cites W1967552498 @default.
• W1542329221 cites W1975967663 @default.
• W1542329221 cites W1976939581 @default.
• W1542329221 cites W1997312925 @default.
• W1542329221 cites W1998682591 @default.
• W1542329221 cites W1999348992 @default.
• W1542329221 cites W2009085594 @default.
• W1542329221 cites W2023271753 @default.
• W1542329221 cites W2027006897 @default.
• W1542329221 cites W2032439502 @default.
• W1542329221 cites W2040195084 @default.
• W1542329221 cites W2043512415 @default.
• W1542329221 cites W2050111976 @default.
• W1542329221 cites W2056417840 @default.
• W1542329221 cites W2056438201 @default.
• W1542329221 cites W2060285444 @default.
• W1542329221 cites W2060783546 @default.
• W1542329221 cites W2062378251 @default.
• W1542329221 cites W2072995400 @default.
• W1542329221 cites W2074550672 @default.
• W1542329221 cites W2075730114 @default.
• W1542329221 cites W2080520479 @default.
• W1542329221 cites W2090625483 @default.
• W1542329221 cites W2113064736 @default.
• W1542329221 cites W2118795579 @default.
• W1542329221 cites W2143981217 @default.
• W1542329221 cites W2162846674 @default.
• W1542329221 cites W2319839200 @default.
• W1542329221 cites W2343900660 @default.
• W1542329221 cites W2949653443 @default.
• W1542329221 cites W3004931047 @default.
• W1542329221 doi "https://doi.org/10.1088/1674-0068/20/03/249-257" @default.
• W1542329221 hasPublicationYear "2007" @default.
• W1542329221 type Work @default.
• W1542329221 sameAs 1542329221 @default.
• W1542329221 citedByCount "1" @default.
• W1542329221 countsByYear W15423292212014 @default.
• W1542329221 crossrefType "journal-article" @default.
• W1542329221 hasAuthorship W1542329221A5021781600 @default.
• W1542329221 hasAuthorship W1542329221A5038876452 @default.
• W1542329221 hasAuthorship W1542329221A5043253857 @default.
• W1542329221 hasAuthorship W1542329221A5069819167 @default.
• W1542329221 hasConcept C121332964 @default.
• W1542329221 hasConcept C125277925 @default.
• W1542329221 hasConcept C126661725 @default.
• W1542329221 hasConcept C139066938 @default.
• W1542329221 hasConcept C145148216 @default.
• W1542329221 hasConcept C147368240 @default.
• W1542329221 hasConcept C147597530 @default.
• W1542329221 hasConcept C147789679 @default.
• W1542329221 hasConcept C148898269 @default.
• W1542329221 hasConcept C158749347 @default.
• W1542329221 hasConcept C161790260 @default.
• W1542329221 hasConcept C178790620 @default.
• W1542329221 hasConcept C185592680 @default.
• W1542329221 hasConcept C198291218 @default.
• W1542329221 hasConcept C32909587 @default.
• W1542329221 hasConcept C512968161 @default.
• W1542329221 hasConcept C57476982 @default.
• W1542329221 hasConcept C62520636 @default.
• W1542329221 hasConcept C65024703 @default.
• W1542329221 hasConcept C75473681 @default.
• W1542329221 hasConcept C89031862 @default.
• W1542329221 hasConcept C93391505 @default.
• W1542329221 hasConceptScore W1542329221C121332964 @default.
• W1542329221 hasConceptScore W1542329221C125277925 @default.
• W1542329221 hasConceptScore W1542329221C126661725 @default.
• W1542329221 hasConceptScore W1542329221C139066938 @default.
• W1542329221 hasConceptScore W1542329221C145148216 @default.
• W1542329221 hasConceptScore W1542329221C147368240 @default.
• W1542329221 hasConceptScore W1542329221C147597530 @default.
• W1542329221 hasConceptScore W1542329221C147789679 @default.
• W1542329221 hasConceptScore W1542329221C148898269 @default.
• W1542329221 hasConceptScore W1542329221C158749347 @default.
• W1542329221 hasConceptScore W1542329221C161790260 @default.
• W1542329221 hasConceptScore W1542329221C178790620 @default.
• W1542329221 hasConceptScore W1542329221C185592680 @default.
• W1542329221 hasConceptScore W1542329221C198291218 @default.
• W1542329221 hasConceptScore W1542329221C32909587 @default.
• W1542329221 hasConceptScore W1542329221C512968161 @default.
• W1542329221 hasConceptScore W1542329221C57476982 @default.
• W1542329221 hasConceptScore W1542329221C62520636 @default.
• W1542329221 hasConceptScore W1542329221C65024703 @default.
• W1542329221 hasConceptScore W1542329221C75473681 @default.
• W1542329221 hasConceptScore W1542329221C89031862 @default.
• W1542329221 hasConceptScore W1542329221C93391505 @default.
• W1542329221 hasIssue "3" @default.

• next