From kekule cells to molecular switches

Logic gates act as electronic switches and are used as building blocks for computers. The use of single molecules as logic gates (molecular switches) has been investigated over past decades, mostly in the experimental science fields. Recently, a graph theory based approach for building molecular switches has been proposed. The author outlined three main parts in the process of building molecular switches and focused on addressing part 2. The third part of determining suitable realistic molecules with switching behaviour is a critical one. The contribution of this paper is a step towards addressing part 3. More specifically, we present four simple algorithms to identify realistic molecules with switching behavior.