FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2744619576> ?p ?o ?g. }

• W2744619576 endingPage "6313" @default.
• W2744619576 startingPage "6304" @default.
• W2744619576 abstract "We report a systematic chemical kinetics study of the H atom abstractions from ethyl formate (EF) by H, O(3P), CH3, OH, and HO2 radicals. The geometry optimization and frequency calculation of all the species were conducted using the M06 method and the cc-pVTZ basis set. The one-dimensional hindered rotor treatment of the reactants and transition states and the intrinsic reaction coordinate analysis were also performed at the M06/cc-pVTZ level of theory. The relative electronic energies were calculated at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory and further extrapolated to the complete basis set limit. Rate constants for the tittle reactions were calculated over the temperature range 500–2500 K by the transition state theory (TST) in conjunction with the asymmetric Eckart tunneling effect. In addition, the rate constants of H-abstraction by hydroxyl radical were measured in shock tube experiments at 900–1321 K and 1.4–2.0 atm. Our theoretical rate constants of OH + EF → products agree well with the experimental results within 15% over the experimental temperature range of 900–1321 K. Branching ratios for the five types of H-abstraction reactions were also determined from their individual site-specific rate constants." @default.
• W2744619576 created "2017-08-17" @default.
• W2744619576 creator A5002206184 @default.
• W2744619576 creator A5013916167 @default.
• W2744619576 creator A5047943653 @default.
• W2744619576 creator A5051525030 @default.
• W2744619576 creator A5070092343 @default.
• W2744619576 creator A5083348018 @default.
• W2744619576 date "2017-08-14" @default.
• W2744619576 modified "2023-09-24" @default.
• W2744619576 title "Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate" @default.
• W2744619576 cites W141468771 @default.
• W2744619576 cites W1634406475 @default.
• W2744619576 cites W1969217764 @default.
• W2744619576 cites W1970421364 @default.
• W2744619576 cites W1972274919 @default.
• W2744619576 cites W1972858491 @default.
• W2744619576 cites W1976494346 @default.
• W2744619576 cites W1980064757 @default.
• W2744619576 cites W1981483795 @default.
• W2744619576 cites W1991268954 @default.
• W2744619576 cites W1997040613 @default.
• W2744619576 cites W1997710190 @default.
• W2744619576 cites W2014743670 @default.
• W2744619576 cites W2017658150 @default.
• W2744619576 cites W2033010754 @default.
• W2744619576 cites W2034063682 @default.
• W2744619576 cites W2035196826 @default.
• W2744619576 cites W2044568421 @default.
• W2744619576 cites W2045285729 @default.
• W2744619576 cites W2046165132 @default.
• W2744619576 cites W2046958326 @default.
• W2744619576 cites W2049391294 @default.
• W2744619576 cites W2062709027 @default.
• W2744619576 cites W2063456713 @default.
• W2744619576 cites W2068220576 @default.
• W2744619576 cites W2075943013 @default.
• W2744619576 cites W2078152465 @default.
• W2744619576 cites W2078758816 @default.
• W2744619576 cites W2109492863 @default.
• W2744619576 cites W2116079934 @default.
• W2744619576 cites W2150697053 @default.
• W2744619576 cites W2164449327 @default.
• W2744619576 cites W2165131446 @default.
• W2744619576 cites W2233122614 @default.
• W2744619576 cites W2277697316 @default.
• W2744619576 cites W2316049533 @default.
• W2744619576 cites W2316943918 @default.
• W2744619576 cites W2327273756 @default.
• W2744619576 cites W2330812121 @default.
• W2744619576 cites W2343693494 @default.
• W2744619576 cites W2348226300 @default.
• W2744619576 cites W2570080447 @default.
• W2744619576 cites W4238308129 @default.
• W2744619576 cites W4240240063 @default.
• W2744619576 cites W4247044686 @default.
• W2744619576 cites W4248395627 @default.
• W2744619576 cites W48451728 @default.
• W2744619576 cites W2159915802 @default.
• W2744619576 doi "https://doi.org/10.1021/acs.jpca.7b06119" @default.
• W2744619576 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28771354" @default.
• W2744619576 hasPublicationYear "2017" @default.
• W2744619576 type Work @default.
• W2744619576 sameAs 2744619576 @default.
• W2744619576 citedByCount "20" @default.
• W2744619576 countsByYear W27446195762017 @default.
• W2744619576 countsByYear W27446195762018 @default.
• W2744619576 countsByYear W27446195762019 @default.
• W2744619576 countsByYear W27446195762020 @default.
• W2744619576 countsByYear W27446195762021 @default.
• W2744619576 countsByYear W27446195762022 @default.
• W2744619576 countsByYear W27446195762023 @default.
• W2744619576 crossrefType "journal-article" @default.
• W2744619576 hasAuthorship W2744619576A5002206184 @default.
• W2744619576 hasAuthorship W2744619576A5013916167 @default.
• W2744619576 hasAuthorship W2744619576A5047943653 @default.
• W2744619576 hasAuthorship W2744619576A5051525030 @default.
• W2744619576 hasAuthorship W2744619576A5070092343 @default.
• W2744619576 hasAuthorship W2744619576A5083348018 @default.
• W2744619576 hasBestOaLocation W27446195762 @default.
• W2744619576 hasConcept C121332964 @default.
• W2744619576 hasConcept C122881758 @default.
• W2744619576 hasConcept C139066938 @default.
• W2744619576 hasConcept C147597530 @default.
• W2744619576 hasConcept C147789679 @default.
• W2744619576 hasConcept C148898269 @default.
• W2744619576 hasConcept C152365726 @default.
• W2744619576 hasConcept C161790260 @default.
• W2744619576 hasConcept C178790620 @default.
• W2744619576 hasConcept C185592680 @default.
• W2744619576 hasConcept C206175624 @default.
• W2744619576 hasConcept C512968161 @default.
• W2744619576 hasConcept C57476982 @default.
• W2744619576 hasConcept C62520636 @default.
• W2744619576 hasConcept C65956243 @default.
• W2744619576 hasConcept C70477161 @default.
• W2744619576 hasConcept C81022585 @default.
• W2744619576 hasConcept C89031862 @default.

• next