Surface optimization and location of catalysis

[slochower]

Surface optimization: how do we relate the shapes of he surfaces and the properties of the motor?

What is the interplay between the shapes of the surfaces and the location of catalysis? Try catalysis uniform (done) and catalysis at one place. Are there simple, pathological differences? How does the position of the barrier relative to the location of catalysis effect the flux?

How do we understand the complex behavior of barriers? Is the force on an infinite barrier always the same direction as the net flux?

Can we understand how Feringa motors operate based on their shape?
Can we understand how the shape of Feringa motors relate to chemical groups? Will it be clear that electron withdrawing or electron donating groups tend to modify the surfaces in one way or another?