Holger Kruse

Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett, 2020, The Journal of chemical physics.

Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory

Holger Kruse, Saeedreza Emamian, Tian Lu, 2019, J. Comput. Chem..

Comment on "Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis"

Holger Kruse, Pascal Auffinger, Jiri Sponer, 2019, J. Chem. Inf. Model..

Vehicle-Track Dynamics in the Mid-Frequency Range

Karl Popp, Holger Kruse, Ingo Kaiser, 1999 .

Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations.

Jaroslav Koča, Holger Kruse, Arnošt Mládek, 2014, Journal of chemical theory and computation.

Accurate Quantum Chemical Description of Non-Covalent Interactions in Hydrogen Filled Endohedral Fullerene Complexes

Holger Kruse, Stefan Grimme, S. Grimme, 2009 .