The Journal of Physical Chemistry A

Theoretical conformational analysis of thiacrown macrocycles

SE Hill, D Feller

Index: Hay,R.S. et al. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1979 , vol. 6, p. 756 - 762

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Citation Number: 51

Abstract

... The Journal of ... This procedure is similar to the procedure adopted by Beech et al. 60 in generating conformers of 1,4,7-trithiacyclononane. ... Occasionally other structures were considered that were not harvested from the MD/MM simulations, but were based on chemical intuition. ...