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23 January, 15:28

Carry out an energy minimization to calculate the relative steric energies or heats of formation of three of the ten possible isomeric dibenzalacetones

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  1. 23 January, 17:51
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    Calculate the steric energy or heat of formation for one single bond isomel of trans-benzAlacetone using the usual energy minimization procedure. The result should be a planar molecule, Then deliberately hold the dihedral angle defined by atoms 1, 2, 3, and 4 at 0 90, and 180 and again calculate the energies of the molecule.
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