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* Rode, Bernd M.; Schwenk, Christian F., Tongraar, Anan (2004); "Structure and Dynamics of Hydrated Ions - New Insights through Quantum Cechanical Simulation";  J. Mol. Liq. 2004, 110(1-3), pp. 105–122. [http://www.sciencedirect.com/science/article/pii/S0167732203002393 DOI: 10.1016/j.molliq.2003.09.016]. 
* Hofer, Thomas; Pribil, Andreas; Randolf, Bernhard; Rode, Bernd M. (2005); "Structure and dynamics of solvated Sn(II) in aqueous solution - an ab initio QM/MM MD approach", J. Am. Chem. Soc. 2005, 127(41), p. 14231-14238. [http://pubs.acs.org/doi/abs/10.1021/ja052700f DOI:10.1021/ja052700f]. 
* Rode, Bernd M.; Schwenk, Christian; Hofer, Thomas; Randolf, Bernhard (2005); "Coordination and ligand exchange dynamics of solvated metal ions"; Coord. Chem. Rev. 2005, 249(24), pp. 2993-–3006. [http://www.sciencedirect.com/science/article/pii/S0010854505001128 DOI: doi:10.1016/j.ccr.2005.03.032]. 
* Rode, Bernd M.; Hofer, Thomas (2006); "How to Access Structure and Dynamics of Solutions: The Capabilities of Computational Methods", Pure Appl. Chem. 2006, 78(3), pp. 525–539. [http://www.degruyter.com/view/j/pac.2006.78.issue-3/pac200678030525/pac200678030525.xml DOI: 10.1351/pac200678030525].
* Rode, Bernd M.; Hofer, Thomas; Randolf, Bernhard; Schwenk, Christian; Xenides, Demetrios; Vchirawongkwin, Viwat(2006); "Ab initio Quantum Mechanical Charge Field (QMCF) Molecular Dynamics - A QM/MM - MD Procedure for Accurate Simulations of Ions and Complexes";  Theor. Chem. Acc. 2006, 115(2-3), pp. 77–85. [https://link.springer.com/article/10.1007%2Fs00214-005-0049-1 DOI: 10.1007/s00214-005-0049-1].
* Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M. (2008); "Molecular Dynamics Simulation Methods including Quantum Effects"; In: Solvation Effects on Molecules and Biomolecules, Canuto, Sylvio (Eds.), , Springer, Heidelberg 2008, pp. 247–278.
* Rode, Bernd M.; Hofer, Thomas S.; Pribil, Andreas B.; Randolf, Bernhard R. (2010); "Simulations of Liquids and Solutions Based on Quantum Mechanical Forces"; In: Theoretical and Computational Inorganic Chemistry, van Eldik, Rudi; Harvey, Jeremy (Eds.), , Elsevier, Amsterdam 2010, pp. 143–175.
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* Fitz, Daniel; Jakschitz, Thomas; Rode, Bernd M. (2011); "Salt-Induced Peptide Formation in Chemical Evolution: Building Blocks Before RNA - Potential of Peptide Splicing Reactions"; In: Origins of Life: The Primal Self-Organization, Egel, Richard; Lankenau, Dirk-Henner; Mulkidjanian, Armen Y. (Eds.), , Springer, Heidelberg, Berlin 2011, pp. 109–127.
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