OPEP: A tool for the optimal partitioning of electric properties. - János G. Ángyán; Christophe Chipot; François Dehez; Christof Hättig; Georg Jansen; Claude Millot (J. Comput. Chem., 2003)

The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study. - Adélia J. A. Aquino; Dana Nachtigallova; Pavel Hobza; Donald G. Truhlar; Christof Hättig; Hans Lischka (J. Comput. Chem., 2011)

The MP2-F12 method in the TURBOMOLE program package. - Rafal A. Bachorz; Florian A. Bischoff; Andreas Glöß; Christof Hättig; Sebastian Höfener; Wim Klopper; David P. Tew (J. Comput. Chem., 2011)

Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline. - Robert Zalesny; Guangjun Tian; Christof Hättig; Wojciech Bartkowiak; Hans Ågren (J. Comput. Chem., 2015)

An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants. - Gunnar Schmitz; Özlem Yönder; Bastian Schnieder; Rochus Schmid; Christof Hättig (J. Comput. Chem., 2021)

Prediction of acid pKa values in the solvent acetone based on COSMO-RS. - Niklas Sülzner; Julia Haberhauer; Christof Hättig; Arnim Hellweg (J. Comput. Chem., 2022)

Performance of the COSMO solvation model for photoacidity and basicity in water. - Ali Ghiami-Shomami; Christof Hättig (J. Comput. Chem., 2023)