FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2272682590> ?p ?o ?g. }

• W2272682590 endingPage "4817" @default.
• W2272682590 startingPage "4812" @default.
• W2272682590 abstract "Fulminates containing the CNO(-) ion have been widely utilized as high-energy density materials (HEDMs) for more than 120 years. Yet no purely covalently bound CNO molecule, i.e., nitrile oxide, is known to behave as an HEDM. In this study, we performed a thorough investigation of the potential energy surface of nitrile oxide ONCNO and related isomers, applying various sophisticated methods including G4, CBS-QB3, W1BD, CCSD(T)/CBS, and CASPT2/CBS. The Gibbs free energy calculations showed that the decomposition of ONCNO to the considerably endothermic products CNO + NO is favored compared to that into the highly exothermic products CO2 + N2. Thus, ONCNO fails to be the long expected nitrile oxide HEDM. However, with the rate-determining barrier of 23.3 kcal mol(-1) at the W1BD level, ONCNO should be experimentally accessible." @default.
• W2272682590 created "2016-06-24" @default.
• W2272682590 creator A5006464629 @default.
• W2272682590 creator A5012545604 @default.
• W2272682590 creator A5033500275 @default.
• W2272682590 creator A5071062839 @default.
• W2272682590 creator A5076265867 @default.
• W2272682590 date "2016-02-24" @default.
• W2272682590 modified "2023-10-17" @default.
• W2272682590 title "Isomerization Pathways of ONCNO: Unstable or Metastable?" @default.
• W2272682590 cites W1885618648 @default.
• W2272682590 cites W1952537039 @default.
• W2272682590 cites W1964082611 @default.
• W2272682590 cites W1966435513 @default.
• W2272682590 cites W1967917616 @default.
• W2272682590 cites W1981936878 @default.
• W2272682590 cites W1989341642 @default.
• W2272682590 cites W1994032845 @default.
• W2272682590 cites W1994372519 @default.
• W2272682590 cites W2005112488 @default.
• W2272682590 cites W2015514116 @default.
• W2272682590 cites W2018430248 @default.
• W2272682590 cites W2022130599 @default.
• W2272682590 cites W2024253288 @default.
• W2272682590 cites W2037365376 @default.
• W2272682590 cites W2039826449 @default.
• W2272682590 cites W2075711588 @default.
• W2272682590 cites W2085876757 @default.
• W2272682590 cites W2086505034 @default.
• W2272682590 cites W2096305495 @default.
• W2272682590 cites W2098593263 @default.
• W2272682590 cites W2126715823 @default.
• W2272682590 cites W2153260897 @default.
• W2272682590 cites W2160425716 @default.
• W2272682590 cites W2166248913 @default.
• W2272682590 cites W2319712954 @default.
• W2272682590 cites W2323778785 @default.
• W2272682590 cites W2517567184 @default.
• W2272682590 cites W4233965423 @default.
• W2272682590 cites W4243017469 @default.
• W2272682590 cites W4245908657 @default.
• W2272682590 doi "https://doi.org/10.1021/acs.jpca.5b12275" @default.
• W2272682590 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26866389" @default.
• W2272682590 hasPublicationYear "2016" @default.
• W2272682590 type Work @default.
• W2272682590 sameAs 2272682590 @default.
• W2272682590 citedByCount "1" @default.
• W2272682590 countsByYear W22726825902016 @default.
• W2272682590 crossrefType "journal-article" @default.
• W2272682590 hasAuthorship W2272682590A5006464629 @default.
• W2272682590 hasAuthorship W2272682590A5012545604 @default.
• W2272682590 hasAuthorship W2272682590A5033500275 @default.
• W2272682590 hasAuthorship W2272682590A5071062839 @default.
• W2272682590 hasAuthorship W2272682590A5076265867 @default.
• W2272682590 hasConcept C121332964 @default.
• W2272682590 hasConcept C124681953 @default.
• W2272682590 hasConcept C125277925 @default.
• W2272682590 hasConcept C126661725 @default.
• W2272682590 hasConcept C146477669 @default.
• W2272682590 hasConcept C147597530 @default.
• W2272682590 hasConcept C147789679 @default.
• W2272682590 hasConcept C150394285 @default.
• W2272682590 hasConcept C159467904 @default.
• W2272682590 hasConcept C161790260 @default.
• W2272682590 hasConcept C178790620 @default.
• W2272682590 hasConcept C185592680 @default.
• W2272682590 hasConcept C20976626 @default.
• W2272682590 hasConcept C2779240715 @default.
• W2272682590 hasConcept C2779851234 @default.
• W2272682590 hasConcept C32909587 @default.
• W2272682590 hasConcept C45119746 @default.
• W2272682590 hasConcept C75473681 @default.
• W2272682590 hasConcept C89464430 @default.
• W2272682590 hasConcept C97355855 @default.
• W2272682590 hasConceptScore W2272682590C121332964 @default.
• W2272682590 hasConceptScore W2272682590C124681953 @default.
• W2272682590 hasConceptScore W2272682590C125277925 @default.
• W2272682590 hasConceptScore W2272682590C126661725 @default.
• W2272682590 hasConceptScore W2272682590C146477669 @default.
• W2272682590 hasConceptScore W2272682590C147597530 @default.
• W2272682590 hasConceptScore W2272682590C147789679 @default.
• W2272682590 hasConceptScore W2272682590C150394285 @default.
• W2272682590 hasConceptScore W2272682590C159467904 @default.
• W2272682590 hasConceptScore W2272682590C161790260 @default.
• W2272682590 hasConceptScore W2272682590C178790620 @default.
• W2272682590 hasConceptScore W2272682590C185592680 @default.
• W2272682590 hasConceptScore W2272682590C20976626 @default.
• W2272682590 hasConceptScore W2272682590C2779240715 @default.
• W2272682590 hasConceptScore W2272682590C2779851234 @default.
• W2272682590 hasConceptScore W2272682590C32909587 @default.
• W2272682590 hasConceptScore W2272682590C45119746 @default.
• W2272682590 hasConceptScore W2272682590C75473681 @default.
• W2272682590 hasConceptScore W2272682590C89464430 @default.
• W2272682590 hasConceptScore W2272682590C97355855 @default.
• W2272682590 hasFunder F4320321001 @default.
• W2272682590 hasFunder F4320321873 @default.
• W2272682590 hasFunder F4320322672 @default.
• W2272682590 hasIssue "27" @default.

• next