Reproducible quantification of ethanol in gasoline via a customized mobile near-infrared spectrometer von Lutz, Oliver M.D., Bonn, Günther K., Rode, Bernd M., Huck, Christian W.

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Symmetry Breaking and Hydration Structure of Carbonate and Nitrate in Aqueous Solutions: A Study by Ab Initio Quantum Mechanical Charge Field Molecular Dynamics von Vchirawongkwin, Viwat, Kritayakornupong, Chinapong, Tongraar, Anan, Rode, Bernd M

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Structural and Dynamical Properties and Vibrational Spectra of Bisulfate Ion in Water: A Study by Ab Initio Quantum Mechanical Charge Field Molecular Dynamics von Vchirawongkwin, Viwat, Kritayakornupong, Chinapong, Rode, Bernd M

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Hydration of Sodium(I) and Potassium(I) Revisited: A Comparative QM/MM and QMCF MD Simulation Study of Weakly Hydrated Ions von Azam, S. Sikander, Hofer, Thomas S, Randolf, Bernhard R, Rode, Bernd M

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The Stability of Bisulfite and Sulfonate Ions in Aqueous Solution Characterized by Hydration Structure and Dynamics von Vchirawongkwin, Viwat, Pornpiganon, Chokchai, Kritayakornupong, Chinapong, Tongraar, Anan, Rode, Bernd M

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Selective adsorption and chiral amplification of amino acids in vermiculite clay-implications for the origin of biochirality von Fraser, Donald G, Fitz, Daniel, Jakschitz, T, Rode, Bernd M

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Structure and dynamics of phosphate ion in aqueous solution: An ab initio QMCF MD study von Pribil, Andreas B, Hofer, Thomas S, Randolf, Bernhard R, Rode, Bernd M

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Structure and ultrafast dynamics of liquid water: a quantum mechanics/molecular mechanics molecular dynamics simulations study von Xenides, Demetrios, Randolf, Bernhard R, Rode, Bernd M

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Characterization of structure and dynamics of an aqueous scandium(iii) ion by an extended ab initio QM/MM molecular dynamics simulation von Vchirawongkwin, Viwat, Kritayakornupong, Chinapong, Tongraar, Anan, Rode, Bernd M

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A QMCF-MD Investigation of the Structure and Dynamics of Ce4+ in Aqueous Solution von Lutz, Oliver M. D, Hofer, Thomas S, Randolf, Bernhard R, Weiss, Alexander K. H, Rode, Bernd M

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Ab initio quantum mechanical simulations confirm the formation of all postulated species in ionic dissociation von Wiedemair, Martin J, Weiss, Alexander K. H, Rode, Bernd M

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How to access structure and dynamics of solutions: The capabilities of computational methods (Special Topic Article) von Rode, Bernd M., Hofer, Thomas S.

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Structure and Dynamics of Sulfate Ion in Aqueous SolutionAn ab initio QMCF MD Simulation and Large Angle X-ray Scattering Study von Vchirawongkwin, Viwat, Rode, Bernd M, Persson, Ingmar

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The First Steps of Chemical Evolution towards the Origin of Life von Rode, Bernd M., Fitz, Daniel, Jakschitz, Thomas

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Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study von Azam, S. Sikander, Hofer, Thomas S, Bhattacharjee, Anirban, Lim, Len Herald V, Pribil, Andreas B, Randolf, Bernhard R, Rode, Bernd M

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Catalytic effects of histidine enantiomers and glycine on the formation of dileucine and dimethionine in the salt-induced peptide formation reaction von Li, Feng, Fitz, Daniel, Fraser, Donald G, Rode, Bernd M

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Born−Oppenheimer ab Initio QM/MM Dynamics Simulations of Na+ and K+ in Water:  From Structure Making to Structure Breaking Effects von Tongraar, Anan, Liedl, Klaus R, Rode, Bernd M

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The catalytic effect of l- and d-histidine on alanine and lysine peptide formation von Fitz, Daniel, Jakschitz, Thomas, Rode, Bernd M.

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Sulfur Dioxide in Water: Structure and Dynamics Studied by an Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation von Moin, Syed Tarique, Lim, Len Herald V, Hofer, Thomas S, Randolf, Bernhard R, Rode, Bernd M

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Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study von Moin, Syed Tarique, Hofer, Thomas S, Randolf, Bernhard R, Rode, Bernd M

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