Christof Hättig

According to our database, Christof Hättig authored at least 7 papers between 2003 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Performance of the COSMO solvation model for photoacidity and basicity in water.

Ali Ghiami-Shomami, Christof Hättig

J. Comput. Chem., 2023

2022

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

2021

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

2015

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

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

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

2003

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