Christof Hättig

Publication Activity (10 Years)

Years Active: 2003-2023
Publications (10 Years): 4

Top Topics

Assessment Process

Predicted Values

Prediction Algorithm

Top Venues

J. Comput. Chem.

Publications

Ali Ghiami-Shomami, Christof Hättig
Performance of the COSMO solvation model for photoacidity and basicity in water. J. Comput. Chem. 44 (24) (2023)
Niklas Sülzner, Julia Haberhauer, Christof Hättig, Arnim Hellweg
Prediction of acid pKa values in the solvent acetone based on COSMO-RS. J. Comput. Chem. 43 (15) (2022)
Gunnar Schmitz, Özlem Yönder, Bastian Schnieder, Rochus Schmid, Christof Hättig
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants. J. Comput. Chem. 42 (32) (2021)
Robert Zalesny, Guangjun Tian, Christof Hättig, Wojciech Bartkowiak, Hans Ågren
Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline. J. Comput. Chem. 36 (15) (2015)
Rafal A. Bachorz, Florian A. Bischoff, Andreas Glöß, Christof Hättig, Sebastian Höfener, Wim Klopper, David P. Tew
The MP2-F12 method in the TURBOMOLE program package. J. Comput. Chem. 32 (11) (2011)
Adélia J. A. Aquino, Dana Nachtigallova, Pavel Hobza, Donald G. Truhlar, Christof Hättig, Hans Lischka
The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study. J. Comput. Chem. 32 (7) (2011)
János G. Ángyán, Christophe Chipot, François Dehez, Christof Hättig, Georg Jansen, Claude Millot
OPEP: A tool for the optimal partitioning of electric properties. J. Comput. Chem. 24 (8) (2003)