D. Flaig

Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels.

C. Ochsenfeld, Marina Maurer, M. Hanni, 2014, Journal of chemical theory and computation.

An extrapolation method for the efficient calculation of molecular response properties within Born-Oppenheimer molecular dynamics.

C. Ochsenfeld, D. Flaig, 2013, Physical chemistry chemical physics : PCCP.

Convergence of Electronic Structure with the Size of the QM Region: Example of QM/MM NMR Shieldings.

Christian Ochsenfeld, Matthias Beer, C. Ochsenfeld, 2012, Journal of chemical theory and computation.

Ribose-protonated DNA base excision repair: a combined theoretical and experimental study.

S. Schneider, T. Carell, C. Ochsenfeld, 2014, Angewandte Chemie.

Distance-dependent Schwarz-based integral estimates for two-electron integrals: reliable tightness vs. rigorous upper bounds.

Christian Ochsenfeld, C. Ochsenfeld, D. Lambrecht, 2012, The Journal of chemical physics.

Distance-dependent Schwarz-based integral estimates for two-electron integrals: reliable tightness vs. rigorous upper bounds.

C. Ochsenfeld, D. Lambrecht, S. Maurer, 2012, The Journal of chemical physics.