Browsing Τμήμα Χημείας / Department of Chemistry by Author "Yonezawa, K."

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    • Article  

      The elusive benzocyclobutenylidene: A combined computational and experimental attempt 

      Nicolaïdes, Andrew N.; Matsushita, Takashi; Yonezawa, K.; Sawai, S.; Tomioka, H.; Stracener, L. L.; Hodges, J. A.; McMahon, R. J. (2001)
      Ab initio and density functional theory calculations predict that benzocyclobutenylidene (1) has a singlet ground state in contrast to the parent phenylcarbene and many other simply substituted arylcarbenes. Calculations ...