1. Department of Chemistry University of Connecticut 55 N. Eagleville Road U-3060 Storrs CT 06269 USA
2. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling Vrije Universiteit Amsterdam, NL- 1081 HV Amsterdam The Netherlands
3. Bruker BioSpin Corporation 15 Fortune Drive, Manning Park Billerica MA 01821 USA
4. Institute of Molecules and Materials Radboud University 6525 AJ Nijmegen The Netherlands