Publications in Preparation
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P. Lehmann, B. Golub, R. Ludwig, D. Paschek
MD Simulation of the Structure and Dynamics of Mixtures of Glycerol and Ethylene Glycol with DMSO
(in preparation). -
E. Mock, R. Ludwig, D. Paschek
Structure and Kinetics of the Hydrogen Bond Network in Mixtures of Triethylammonium [NTf2] and Diethylammonium [NTf2] Ionic Liquids: A MD Simulation Study
(in preparation). -
D. Paschek
Some Thoughts On Why We Should Try Inventing Compressible Ionic Liquids
(in preparation). -
J. K. Philipp, A. Appelhagen, A.-M. Bonsa, R. Ludwig, D. Paschek
Structural Transformations within the [Li/Triglyme][NTf2] Quasi Ionic Liquid as a Function of Triglyme Content. Implications on Viscosity and Conductivity
(in preparation). -
J. Busch, J. Neumann, R. Ludwig, D. Paschek
Controlling the Hydrogen Bond Equilbrium and Kinetics in Hydroxyl-Functionalized Ionic Liquids by Mixtures with Their Non-Functionalized Counterparts: An MD Simulation Study
(in preparation). -
J. Busch, D. Paschek
Perspective: How to Compute Hydrogen Bond Lifetimes Properly and Efficiently from Molecular Dynamics Simulations.
(in preparation). -
J. Busch, J. Neumann, R. Ludwig, D. Paschek
Revisiting the Anisotropic Molecular Reorientation in Liquid Methanol. A Reinterpretation of 2H- and 17O-Quadrupolar NMR Relaxation Data Based on Molecular Dynamics Simulations and Ab-Initio Cluster Calculations
(in preparation). -
S. Fritsch, R. Ludwig, D. Paschek
Do "Salty" Methane Co-Clathrates with Monovalent Ions as Guests Exist? An Exploration of the Thermodynamic and Kinetic Stability Conditions Based on Molecular Dynamics Simulations
(in preparation).