Depiction of a portion of the structure of NU-1000 illustrating its molecular scale porosity. Sketched within the pore are molecules of GD. Shown in the close ups are the agent GD and catalytic node, and the degradation product and catalytic node, together with their computed free energies relative to the isolated agent and catalyst. Notice that the catalytic reaction is initiated by displacement of a water molecule from the catalyst active site and binding of nerve agent via an oxygen atom. Hydrolytic degradation entails severing a fluoride ion from the agent and replacing it with a hydroxyl derived from water. The rapid release of the degradation product from the active site is not illustrated.