Dietmar Paschek

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 23

Top Topics

Density Functional Theory

Room Temperature

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Johanna Busch, Dietmar Paschek
Computing Accurate True Self-Diffusion Coefficients and Shear Viscosities Using the OrthoBoXY Approach. The journal of physical chemistry. B 128 (4) (2024)
Johanna Busch, Dietmar Paschek
Computing Accurate True Self-Diffusion Coefficients and Shear Viscosities Using the OrthoBoXY Approach. The journal of physical chemistry. B (2024)
Alexander E Khudozhitkov, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
How Like-Charge Attraction Influences the Mobility of Cations in Hydroxyl-Functionalized Ionic Liquids. The journal of physical chemistry letters (2023)
Alexander E Khudozhitkov, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
How Like-Charge Attraction Influences the Mobility of Cations in Hydroxyl-Functionalized Ionic Liquids. The journal of physical chemistry letters (2023)
Alexander E Khudozhitkov, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
How Like-Charge Attraction Influences the Mobility of Cations in Hydroxyl-Functionalized Ionic Liquids. The journal of physical chemistry letters (2023)
Johanna Busch, David Kotwica, Loai Al Sheakh, Thomas F Headen, Tristan G A Youngs, Dietmar Paschek, Ralf Ludwig
Quantification and Distribution of Three Types of Hydrogen Bonds in Mixtures of an Ionic Liquid with the Hydrogen-Bond-Accepting Molecular Solvent DMSO Explored by Neutron Diffraction and Molecular Dynamics Simulations. The journal of physical chemistry letters (2023)
Alexander E Khudozhitkov, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
How Like-Charge Attraction Influences the Mobility of Cations in Hydroxyl-Functionalized Ionic Liquids. The journal of physical chemistry letters 14 (17) (2023)
Johanna Busch, Dietmar Paschek
OrthoBoXY: A Simple Way to Compute True Self-Diffusion Coefficients from MD Simulations with Periodic Boundary Conditions without Prior Knowledge of the Viscosity. The journal of physical chemistry. B (2023)
Johanna Busch, Dietmar Paschek
An OrthoBoXY-method for various alternative box geometries. Physical chemistry chemical physics : PCCP (2023)
Johanna Busch, David Kotwica, Loai Al Sheakh, Thomas F Headen, Tristan G A Youngs, Dietmar Paschek, Ralf Ludwig
Quantification and Distribution of Three Types of Hydrogen Bonds in Mixtures of an Ionic Liquid with the Hydrogen-Bond-Accepting Molecular Solvent DMSO Explored by Neutron Diffraction and Molecular Dynamics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Benjamin Golub, Daniel Ondo, Viviane Overbeck, Ralf Ludwig, Dietmar Paschek
Hydrogen bond redistribution effects in mixtures of protic ionic liquids sharing the same cation: non-ideal mixing with large negative mixing enthalpies. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Alexander E Khudozhitkov, Peter Stange, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
The Influence of Deuterium Isotope Effects on Structural Rearrangements, Ensemble Equilibria, and Hydrogen Bonding in Protic Ionic Liquids. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (23) (2022)
Benjamin Golub, Daniel Ondo, Ralf Ludwig, Dietmar Paschek
Why Do Liquids Mix? The Mixing of Protic Ionic Liquids Sharing the Same Cation Is Apparently Driven by Enthalpy, Not Entropy. The journal of physical chemistry letters 13 (16) (2022)
Alexander E Khudozhitkov, Peter Stange, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
The Influence of Deuterium Isotope Effects on Structural Rearrangements, Ensemble Equilibria, and Hydrogen Bonding in Protic Ionic Liquids. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (23) (2022)
Jan Neumann, Ralf Ludwig, Dietmar Paschek
Hydrogen Bonds between Ions of Opposite and Like Charge in Hydroxyl-Functionalized Ionic Liquids: an Exhaustive Examination of the Interplay between Global and Local Motions and Intermolecular Hydrogen Bond Lifetimes and Kinetics. The journal of physical chemistry. B 125 (19) (2021)
Benjamin Golub, Koichi Fumino, Peter Stange, Verlaine Fossog, Rolf Hempelmann, Daniel Ondo, Dietmar Paschek, Ralf Ludwig
Balance Between Contact and Solvent-Separated Ion Pairs in Mixtures of the Protic Ionic Liquid [Et3NH][MeSO3] with Water Controlled by Water Content and Temperature. The journal of physical chemistry. B 125 (17) (2021)
Majid Namayandeh Jorabchi, Ralf Ludwig, Dietmar Paschek
Quasi-Universal Solubility Behavior of Light Gases in Imidazolium-Based Ionic Liquids with Varying Anions: A Molecular Dynamics Simulation Study. The journal of physical chemistry. B 125 (6) (2021)
Jan Neumann, Dietmar Paschek, Anne Strate, Ralf Ludwig
Kinetics of Hydrogen Bonding between Ions with Opposite and Like Charges in Hydroxyl-Functionalized Ionic Liquids. The journal of physical chemistry. B 125 (1) (2020)
Thomas Niemann, Jan Neumann, Peter Stange, Sabrina Gärtner, Tristan G A Youngs, Dietmar Paschek, Gregory G Warr, Rob Atkin, Ralf Ludwig
The Double-Faced Nature of Hydrogen Bonding in Hydroxy-Functionalized Ionic Liquids Shown by Neutron Diffraction and Molecular Dynamics Simulations. Angewandte Chemie (International ed. in English) 58 (37) (2019)
Alexander E Khudozhitkov, Jan Neumann, Thomas Niemann, Dzmitry H Zaitsau, Peter Stange, Dietmar Paschek, Alexander G Stepanov, Daniil I Kolokolov, Ralf Ludwig
Hydrogen Bonding Between Ions of Like Charge in Ionic Liquids Characterized by NMR Deuteron Quadrupole Coupling Constants-Comparison with Salt Bridges and Molecular Systems. Angewandte Chemie (International ed. in English) 58 (49) (2019)
Jan Neumann, Benjamin Golub, Lisa-Marie Odebrecht, Ralf Ludwig, Dietmar Paschek
Revisiting imidazolium based ionic liquids: Effect of the conformation bias of the [NTf2] anion studied by molecular dynamics simulations. The Journal of chemical physics 148 (19) (2018)
Alexander E Khudozhitkov, Peter Stange, Anne-Marie Bonsa, Viviane Overbeck, Andreas Appelhagen, Alexander G Stepanov, Daniil I Kolokolov, Dietmar Paschek, Ralf Ludwig
Dynamical heterogeneities in ionic liquids as revealed from deuteron NMR. Chemical communications (Cambridge, England) 54 (25) (2018)
Anne Strate, Jan Neumann, Viviane Overbeck, Anne-Marie Bonsa, Dirk Michalik, Dietmar Paschek, Ralf Ludwig
Rotational and translational dynamics and their relation to hydrogen bond lifetimes in an ionic liquid by means of NMR relaxation time experiments and molecular dynamics simulation. The Journal of chemical physics 148 (19) (2018)