Resonance Plugin

This manual gives you a walk-through on how to use the Resonance Plugin:


The Resonance Plugin generates all resonance structures of a molecule. The major contributors of the resonance structures can be calculated separately.

As an example see the two structures below: the major resonance contributors of diazomethane, while the structure below them is its canonical form.


Fig. 1 Calculated resonance structures of diazomethane


Fig. 2 Canonical resonance structure of diazomethane


The following options can be adjusted in the Resonance Options panel:

  • Max. number of structure: maximize the number of structures to display (decrease calculation time).

  • Take canonical form: displays the canonical structure of the molecule.

  • Take major contributors: selects the most relevant structures.

  • Single fragment mode : if checked (default), the results are displayed in separate windows; otherwise the calculation handles unlinked molecules together and the results appear in the same window.


Fig. 3 Resonance Options window