Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene. - Johannes Neugebauer; Markus Reiher; Carsten Kind; Bernd A. Hess (J. Comput. Chem., 2002)

Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT. - Andreas W. Götz; Christian Kollmar; Bernd A. Hess (J. Comput. Chem., 2005)

Ionic Liquids from A1C13. - Barbara Kirchner; Ari Seitsonen; Jürg Hutter; Bernd A. Hess (High Performance Computing in Science and Engineering, 2006)