Sine-enhanced Shake-and-Bake: the theoretical basis and applications to Se-atom substructures

The sine-enhanced minimal function and the corresponding sine-enhanced Shake-and-Bake procedure have been proposed and tested. With proper choice of parameter values, the sine-enhanced Shate-and-Bake procedure outperformed the traditional Shake-and-Bake by a two- to eightfold increase in success rate for Se-atom substructures.