Theoretical study of [n]ivyanes, n = 2-8

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Using quantum mechanical calculations we investigate the structural, spectroscopic, and mechanical properties of ivyanes, a novel family of helical hydrocarbons recently synthesized by Sherburn's group [1]. The Young elastic modulus is predicted to be 1.92 GPa, which is about thirty times smaller than that computed for the α-helix.

Original languageEnglish
Pages (from-to)277-282
Number of pages6
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 2011 Aug 5


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