Dynamics of Cyclic Allenes. Conformational Energy Surface of Cyclodeca-1,2,4,5-tetraene†

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Issa Yavari, Robabeh Baharfar, Robabeh Baharfar, Davood \Nori-Shargh, Ahmad Shaabani and Ahmad Shaabani


Abstract

Iterative molecular mechanics calculations using Boyd’s computer program MOLBUILD, and AM1 semi-empirical SCF MO calculations for two diastereoisomeric forms of cyclodeca-1,2,4,5-tetraene are reported for four conformations and three transition states for conformational interconversions.


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