Atomic scale modeling of polymerization catalysts. - Tom K. Woo; Serguei Patchkovskii; Tom Ziegler (Comput. Sci. Eng., 2000)

Chemistry with ADF. - G. te Velde; Friedrich Matthias Bickelhaupt; Evert Jan Baerends; Célia Fonseca Guerra; Stan J. A. van Gisbergen; Jaap G. Snijders; Tom Ziegler (J. Comput. Chem., 2001)

Self-Consistent Combination of the Three-Dimensional RISM Theory of Molecular Solvation with Analytical Gradients and the Amsterdam Density Functional Package. - Sergey Gusarova; Tom Ziegler; A. Kovalenko (ICMENS, 2005)

Free energy profiles for monomer capture in Grubbs- and SHOP-type olefin polymerization catalysts: A constraint ab initio molecular dynamics study. - Sheng-Yong Yang; Ming-Li Xiang; Li-Juan Chen; Guo-Bin Xie; Bing Shi; Yu-Quan Wei; Tom Ziegler (J. Comput. Chem., 2007)