1. Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113, Orlik Software, ul. Lniana 22/12, 50-520 Wrocław, Poland, Institute of Physics, University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw, Poland, and Department of Chemical and Biological Engineering, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113