CAST: A new program package for the accurate characterization of large and flexible molecular systems. - Christoph Grebner; Johannes Becker; Daniel Weber 011; Daniel Bellinger; Maxim Tafipolski; Charlotte Brückner; Bernd Engels (J. Comput. Chem., 2014)

A theoretical description of charge reorganization energies in molecular organic P-type semiconductors. - Charlotte Brückner; Bernd Engels (J. Comput. Chem., 2016)