| |
To search by formula, specify one of more theoretical models and search by formula in the Search Options Dialogue, then enter a molecular formula into the Search By text box. As an example, the Moller Plesset (MP2/6-31G*) entries were searched for C6H6 and returned a total of 19 entries (either conformations or structural isomers for C6H6, shown is the molecule fulvene). |
