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