Treatment of hydrogen bonding in SINDO1. - Karl Jug; Gerald Geudtner (J. Comput. Chem., 1993)

MSINDO parameterization for third-row main group elements. - Karl Jug; Gerald Geudtner; Thorsten Homann (J. Comput. Chem., 2000)

Development of the cyclic cluster approach for ionic systems. - Thomas Bredow; Gerald Geudtner; Karl Jug (J. Comput. Chem., 2001)

MSINDO parameterization for third-row transition metals. - Thomas Bredow; Gerald Geudtner; Karl Jug (J. Comput. Chem., 2001)

Bond energies for molecules, clusters, and deposit systems. - Karl Jug; Gerald Geudtner (J. Comput. Chem., 2003)

Parallelization of the deMon2k code. - Gerald Geudtner; Florian Janetzko; Andreas M. Köster; Alberto Vela; Patrizia Calaminici (J. Comput. Chem., 2006)

Molecular graphs of Lin clusters (n=2-6) from the density and the molecular electrostatic potential. - Patrizia Calaminici; Victor Daniel Dominguez-Soria; Gerald Geudtner; Andreas M. Köster (J. Comput. Methods Sci. Eng., 2007)

Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations. - Florian Janetzko; Thomas Bredow; Gerald Geudtner; Andreas M. Köster (J. Comput. Chem., 2008)

First Principles Global Optimization Method From Parallel Tempering Molecular Dynamics. - Gerald Geudtner; Andreas M. Köster (J. Comput. Chem., 2025)