MaxIT Classic Manual do Utilizador descarregar pdf (Página 20)

O.k. with this new structure we have no imaginary freq, but we can imagine that a

trans-butadiene should be more stable as our found cis conformere.

Instead of drawing trans-butadien we can modify our planar-cis-butadien.

Hessian helps you finding a minimum, but there always can be a lower geometry.

Examples-Geometry

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MaxIT Classic Manual do Utilizador Página 20