Matches in SemOpenAlex for { <https://semopenalex.org/work/W2054333045> ?p ?o ?g. }
- W2054333045 endingPage "6335" @default.
- W2054333045 startingPage "6335" @default.
- W2054333045 abstract "The effect of substituents on the rate of conrotatory thermal cleavage of aziridine has been studied at the MP2(Full)/6-311++G(d,p)//MP2(Full)/6-31+G(d) level and also using SCS-MP2 methodology. While the parent compound has a high free energy of activation (194.6 kJ mol(-1)), this value could be drastically lowered by substituent effects. Anionic species were found to be particularly effective in increasing the calculated reaction rate. The potential utility of this approach in 1,3-dipolar cycloaddition is discussed." @default.
- W2054333045 created "2016-06-24" @default.
- W2054333045 creator A5036805929 @default.
- W2054333045 date "2011-01-01" @default.
- W2054333045 modified "2023-09-26" @default.
- W2054333045 title "Substituent effects on the rate of formation of azomethine ylides. A computational investigation" @default.
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