Simple Hückel Molecular Orbital Calculator
Tool for calculation and visualisation of conjugated π systems (according to the Hückel method)
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Atoms and bonds between those atoms can be created by clicking/drawing a line in the molecule window below.
The normalize button equalizes the length and angle of the molecules present.
Single atoms or bonds an be removed via the erase button.The clear all button removes all elements in the drawing frame.
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The right frame shows the energy of the molecular orbitals (MO's) of the π system of the drawn molecule with their corresponding occupation.
The total number of π electrons can be changed via the buttons in the bottom left besides the draw window.
Selecting a MO shows a visualisation of its shape on the molecule. This can be toggled via the hide button.
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The show results buton shows the calculated eigenvalues and eigenvectors of the hückel matrix of the molecule below drawing area.
The results can be downloaded as a text file via the menu below the values.