First-order relativistic corrections to MP2 energy from standard gradient codes: Comparison with results from density functional theory. - Robert Franke; Christoph Van Wüllen (J. Comput. Chem., 1998)

Relativistic all-electron density functional calculations. - Christoph Van Wüllen (J. Comput. Chem., 1999)

Spin densities in two-component relativistic density functional calculations: Noncollinear versus collinear approach. - Christoph Van Wüllen (J. Comput. Chem., 2002)

Numerical instabilities in the computation of pseudopotential matrix elements. - Christoph Van Wüllen (J. Comput. Chem., 2006)

A systematic quantum chemical investigation of the C-H bond activation in methane by gas phase vanadium oxide cation VO+. - Mikhail Pykavy; Christoph Van Wüllen (J. Comput. Chem., 2007)

Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: How to quickly parallelize legacy code. - Christoph Van Wüllen (J. Comput. Chem., 2011)