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To search for isomers of a molecule, build the molecule, specify one or more theoretical models and search by isomer in the Search Options Dialogue, and click the Search button. In this example 1,5-dihydroxynaphthalene was constructed, the SMD was searched a the Hartree-Fock 3-21G* level, resulting in 34 isomers, including meta-propargylbenzoic acid. |
