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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. DOI:10.1021/ja052700f.
Tongraar, A.; Liedl, K. R.; Rode, Bernd M. (1997);"Solvation of Ca2+ In Water Studied By Born-Oppenheimer Ab-Initio QM/MM Dynamics"; J. Phys. Chem. A 1997, 101(35), p. 6299-6309,DOI: 10.1021/jp970963t.
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), p. 105-122. DOI: 10.1016/j.molliq.2003.09.016.
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), p. 2993-3006. 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), p. 525-539. 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), p. 77-85. 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.), ISBN 978-1-4020-8269-6, Springer, Heidelberg 2008, p. 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.), ISBN 978-0-12-380874-5, Elsevier, Amsterdam 2010,p. 143-175.
Hofer, Thomas S.; Pribil, Andreas B.; Randolf, Bernhard R.; Rode, Bernd M.; "Ab Initio Quantum Mechanical Charge Field Molecular Dynamics - A Nonparametrized First-Principle Approach to Liquids and Solutions"; In: Advances in Quantum Chemistry, Sabin, John R.; Brändas, Erkki (Eds.), ISBN 978-0-12-380898-1, Elsevier, Amsterdam 2010, 213-246.
Lutz, Oliver M. D.; Messner, Christoph B.; Hofer, Thomas S.; Glätzle, Matthias; Huck, Christian W.; Bonn, Günther K.; Rode, Bernd M.; "Combined Ab Initio Computational and Infrared Spectroscopic Study of the cis- and trans-Bis(glycinato)copper(II) Complexes in Aqueous Environment"; J. Phys. Chem. Lett. 2013, 4, p. 1502-1506. DOI: 10.1021/jz400288c.
Jakschitz, Thomas; Fitz, Daniel; Rode, Bernd Michael (2012); "The origin of first peptides on earth: from amino acids to homochiral biomolecules"; In: Genesis - In The Beginning, Joseph Seckbach (Edp.), ISBN 978-94-007-2940-7, Springer, Dordrecht 2012, p. 469-489.
Schwendinger, M. G.; Rode, Bend M.(1998); "Possible Role of Copper and Sodium Chloride in Prebiotic Evolution of Peptides"; Anal. Sci. 1989, 5(4), p. 411-414. DOI: 10.2116/analsci.5.411.
Schwendinger, M. G.; Rode, Bend M. (1990); "Copper-Catalyzed Amino Acid Condensation in Water - A Simple Possible Way of Prebiotic Peptide Fromation"; Origins Life Evol. Biosphere 1990, 20(5), p. 401-410. DOI: 10.1007/BF01808134.
Rode, Bernd M.; Plankensteiner, Kristof (2013); "Prebiotic Peptides",; In: Handbook of Biologically Active Peptides, Second Edition , Abba J. Kastin (Eds.), ISBN 978-012-3850959, Elsevier, Amsterdam 2013, p. 1899-1903.
Jakschitz, Thomas A.; Rode, Bernd M. (2012); "Chemical Evolution from simple inorganic compounds to chiral peptides"; Chem. Soc. Rev. 2012, 41(16), p. 5484-5489. DOI: 10.1039/C2CS35073D.
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.), ISBN 978-3-642-21624-4, Springer, Heidelberg, Berlin 2011, p. 109-127.
Fitz, Daniel; Reiner, Hannes; Rode, Bernd M. (2007); "Chemical evolution toward the origin of life"; Pure Appl. Chem. 2007, 79(12), p. 2101–2117. DOI: 10.1351/pac200779122101.
Plankensteiner, Kristof; Reiner, Hannes; Schranz, Benjamin; Rode, Bernd M. (2004); "Prebiotic formation of amino acids in a neutral atmosphere by electric discharge"; Angew. Chem., Int. Ed. 2004, 43, p. 1886-1888. DOI: 10.1002/anie.200353135.