Christian Schröder

Publikationen

Publikationen pro Jahr 2005 2013 2016 2017 2018 2019 2020 2022 2025

• 90 Artikel
• 5 Meeting Abstract/Conference Paper
• 4 Beitrag in Buch/Sammelband
• 4 Review
• 1 Mehr
  • 1 Beitrag in Konferenzband

Publikationen pro Jahr

Publikationen pro Jahr

Suchergebnisse

• 2025

  Enhancing Blood-Brain Barrier Penetration Prediction by Machine Learning-Based Integration of Novel and Existing, In Silico and Experimental Molecular Parameters from a Standardized Database

  Spielvogel, C. P., Schindler, N., Schröder, C., Stellnberger, S. L., Wadsak, W., Mitterhauser, M., Papp, L., Hacker, M., Pichler, V. & Vraka, C., 2025, (Elektronische Veröffentlichung vor Drucklegung) in: Journal of Chemical Information and Modeling.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Central Nervous System Drug 100%
  • Central Nervous System Agent 100%
• 2024

  Comparative analysis of dielectric spectra in protic ionic liquids: Experimental findings and computational molecular decomposition

  Joerg, F., Sutter, J., van Dam, L., Kanellopoulos, K., Hunger, J. & Schröder, C., 15 Feb. 2024, in: Journal of Molecular Liquids. 396, 123834.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Dielectric Material 100%
  • Trifluoroacetate 75%
  • Proton Transfer 25%
  • Permittivity 25%

• Short-Term Exposure to Foodborne Xenoestrogens Affects Breast Cancer Cell Morphology and Motility Relevant for Metastatic Behavior In Vitro

  Del Favero, G., Bergen, J., Palm, L., Fellinger, C., Matlaeva, M., Szabadi, A., Fernandes, A. S., Saraiva, N., Schröder, C. & Marko, D., 21 Okt. 2024, in: Chemical Research in Toxicology. 37, 10, S. 1634-1650 17 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Breast Cancer 100%
  • Xenoestrogens 100%
  • Metastasis 40%
  • Integrin 40%
  • Soybean 20%

• Updates to Protex for Simulating Proton Transfers in an Ionic Liquid

  Gödeny, M., Joerg, F., Kovar, M. P. P. & Schröder, C., 11 Apr. 2024, in: Journal of Physical Chemistry B. 128, 14, S. 3416-3426 11 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Proton Transport 100%
  • Ionic Liquid 100%
  • Protonation 33%
  • Pythonidae 16%
• 2023

  Force field refinement for reproducing experimental infrared spectra of ionic liquids

  Szabadi, A., Doknic, A., Netsch, J., Pálvögyi, Á. M., Steinhauser, O. & Schröder, C., 11 Juli 2023, in: Physical Chemistry Chemical Physics. 25, 29, S. 19882-19890 9 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Infrared Radiation 100%
  • IR Spectrum 100%
  • Intermolecular Force 20%

• Protex—A Python utility for proton exchange in molecular dynamics simulations

  Joerg, F., Wieder, M. & Schröder, C., 17 Feb. 2023, in: Frontiers in Chemistry. 11, 13 S., 1140896.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Pythonidae 100%
  • Deprotonation 100%
• 2022

  Charge delocalization and hyperpolarizability in ionic liquids

  Damian Rodriguez-Fernandez, C., Varela, L. M., Schröder, C. & Lopez Lago, E., 1 März 2022, in: Journal of Molecular Liquids. 349, 12 S., 118153.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Hyperpolarizability 100%
  • Kerr Effect (Electrooptical) 16%

• Collectivity in ionic liquids: a temperature dependent, polarizable molecular dynamics study

  Szabadi, A., Honegger, P., Schofbeck, F., Sappl, M., Heid, E., Steinhauser, O. & Schröder, C., 22 Juni 2022, in: Physical Chemistry Chemical Physics. 24, 26, S. 15776-15790 15 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Molecular Dynamics Study 100%
  • 1-Ethyl-3-Methylimidazolium 25%
  • Physico-Chemical Property 25%
  • Ion Pair 25%

• Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate

  Jacobi, R., Joerg, F., Steinhauser, O. & Schroeder, C., 7 Apr. 2022, in: Physical Chemistry Chemical Physics. 24, 16, S. 9277-9285 9 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Proton Transfer 100%
  • Transfer Reaction 100%
  • Complex Reaction Mechanisms 50%

• Non-additive electronic polarizabilities of ionic liquids: Charge delocalization effects

  Damian Rodriguez-Fernandez, C., Lopez Lago, E., Schroeder, C. & Varela, L. M., 15 Jan. 2022, in: Journal of Molecular Liquids. 346, 12 S., 117099.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • electronics 100%
  • Polarizability 100%
  • Refractive Index 50%
  • Atomic Volume 16%

• Nuclear Overhauser spectroscopy in hyperpolarized water - chemical vs. magnetic exchange

  Epasto, L. M., Honegger, P., Che, K., Kozak, F., Jörg, F., Schröder, C. & Kurzbach, D., Sept. 2022, in: Chemical Communications. 58, 83, S. 11661-11664 4 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Dynamic Nuclear Polarization 100%
  • Overhauser Spectroscopy 100%
  • Nuclear Magnetic Resonance 25%
  • Nuclear Magnetic Resonance Spectroscopy 25%
  • Cross Relaxation 25%

• Polarizable molecular dynamics simulations on the conductivity of pure 1-methylimidazolium acetate systems

  Joerg, F. & Schroeder, C., 29 Juni 2022, in: Physical Chemistry Chemical Physics. 24, 25, S. 15245-15254 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Purity 100%
  • Dielectric Material 50%
  • Diffusion Coefficient 50%
  • Acetic Acid 50%

• Recent Developments in Polarizable Molecular Dynamics Simulations of Electrolyte Solutions

  Szabadi, A. & Schroeder, C., Juni 2022, in: Journal of computational biophysics and chemistry. 21, 4, S. 415-429 15 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Research 100%
  • Refractive Index 25%
• 2021

  Comparison between ab initio and polarizable molecular dynamics simulations of 1-butyl-3-methylimidazolium tetrafluoroborate and chloride in water

  Szabadi, A., Elfgen, R., Macchieraldo, R., Kearns, F. L., Woodcock, H. L., Kirchner, B. & Schroeder, C., 1 Sept. 2021, in: Journal of Molecular Liquids. 337, 10 S., 116521.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • 1-Butyl-3-Methylimidazolium Tetrafluoroborate 100%
  • Radial Distribution Function 50%
  • Wavenumber 50%
  • Diffusion Coefficient 50%
  • IR Spectrum 50%

• Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field

  Berthin, R., Serva, A., Reeves, K. G., Heid, E., Schröder, C. & Salanne, M., 21 Aug. 2021, in: Journal of Chemical Physics. 155, 7, 9 S., 074504.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Anthraquinone 100%
  • Acetonitrile 100%
  • Solvation 100%
  • Ionic Liquid 33%
  • Energy Storage 16%

• The influence of the cation structure on the basicity-related polarity of ionic liquids

  Weiss, N., Thielemann, G., Nagel, K., Schmidt, C. H., Seifert, A., Kassner, L., Strehmel, V., Corzilius, B., Schroeder, C. & Spange, S., 17 Nov. 2021, in: Physical Chemistry Chemical Physics. 23, 47, S. 26750-26760 11 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Alkalinity 100%
  • Spin Probe 66%
  • Hydrogen Bonding 66%
  • UV/VIS Spectroscopy 66%

• The Intermolecular NOE Depends on Isotope Selection: Short Range vs Long Range Behavior

  Honegger, P., Di Pietro, M. E., Castiglione, F., Vaccarini, C., Quant, A., Steinhauser, O., Schroeder, C. & Mele, A., 9 Sept. 2021, in: Journal of Physical Chemistry Letters. 12, 35, S. 8658-8663 6 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Nuclear Overhauser Effect 100%
  • Structure Elucidation 50%
  • Molecular Structure 33%
  • Nuclear Magnetic Resonance 33%
  • Chemical Structure 33%

• The physical significance of the Kamlet-Taft: π ∗ parameter of ionic liquids

  Weiß, N., Schmidt, C. H., Thielemann, G., Heid, E., Schröder, C. & Spange, S., 14 Jan. 2021, in: Physical Chemistry Chemical Physics. 23, 2, S. 1616-1626 11 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Chromophore 100%
  • Solvatochromic Probe 25%
• 2020

  Counterion Enhanced Organocatalysis: A Novel Approach for the Asymmetric Transfer Hydrogenation of Enones

  Scharinger, F., Mark Palvoelgyi, A., Zeindlhofer, V., Schnuerch, M., Schroeder, C. & Bica-Schroeder, K., 21 Juli 2020, in: ChemCatChem. 12, 14, S. 3776-3782 7 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Hydrogenation 100%
  • Counterion 100%
  • Enone 100%
  • Organocatalysis 100%
  • Pool 25%

• Dielectric spectroscopy and time dependent Stokes shift: two faces of the same coin?

  Honegger, P., Heid, E., Schröder, C. & Steinhauser, O., 7 Sept. 2020, in: Physical Chemistry Chemical Physics. 22, 33, S. 18388-18399 12 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Spectroscopy 100%
  • Dielectric Spectroscopy 100%
  • Dielectrics 100%
  • Stokes Shift 100%
  • Dielectric Material 100%

• Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether

  Zeindlhofer, V., Hudson, P., Palvoelgyi, A. M., Welsch, M., Almarashi, M., Woodcock, H. L., Brooks, B., Bica-Schroeder, K. & Schroeder, C., Sept. 2020, in: International Journal of Molecular Sciences. 21, 17, S. 1-19 19 S., 6222.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • formation 100%
  • Conformational Isomer 100%
  • Free Energy 100%
  • Diastereomer 100%
  • Chirality 100%

• Polarizable MD simulations of ionic liquids: How does additional charge transfer change the dynamics?

  Schroeder, C., Lyons, A. & Rick, S. W., 14 Jan. 2020, in: Physical Chemistry Chemical Physics. 22, 2, S. 467-477 11 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Carbon Ion 33%
  • 1-Ethyl-3-Methylimidazolium 33%
  • Dipolar Interaction 33%
  • Molecular Ion 33%

• Polarizable molecular dynamics simulations of ionic liquids: Influence of temperature control

  Heid, E., Boresch, S. & Schroeder, C., 7 März 2020, in: Journal of Chemical Physics. 152, 9, 10 S., 094105.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Temperature Control 100%

• Understanding the Nature of Nuclear Magnetic Resonance Relaxation by Means of Fast-Field-Cycling Relaxometry and Molecular Dynamics Simulations-The Validity of Relaxation Models

  Honegger, P., Overbeck, V., Strate, A., Appelhagen, A., Sappl, M., Heid, E., Schroeder, C., Ludwig, R. & Steinhauser, O., 19 März 2020, in: Journal of Physical Chemistry Letters. 11, 6, S. 2165-2170 6 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed
• 2019

  Changes in protein hydration dynamics by encapsulation or crowding of ubiquitin: strong correlation between time-dependent Stokes shift and intermolecular nuclear Overhauser effect

  Honegger, P., Heid, E., Schmode, S., Schroder, C. & Steinhauser, O., 11 Nov. 2019, in: RSC Advances . 9, 63, S. 36982-36993 12 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Stokes Shift 100%
  • Dynamics 100%
  • Nuclear Overhauser Effect 100%
  • Ubiquitin 100%
  • Protein Function 50%

• Computational analysis of conductivity contributions in an ionic liquid mixture of 1-ethyl-3-methylimidazolium dicyanamide and tetrafluoroborate

  Zeindlhofer, V., Zehetner, L., Paschinger, W., Bismarck, A. & Schroeder, C., 15 Aug. 2019, in: Journal of Molecular Liquids. 288, 11 S., 110993.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Liquid Mixture 100%
  • 1-Ethyl-3-Methylimidazolium 100%
  • Transport Property 40%
  • Physico-Chemical Property 20%

• Computational spectroscopy of trehalose, sucrose, maltose, and glucose: A comprehensive study of TDSS, NQR NOE, and DRS

  Heid, E., Honegger, P., Braun, D., Szabadi, A., Stankovic, T., Steinhauser, O. & Schroeder, C., 7 Mai 2019, in: Journal of Chemical Physics. 150, 17, 8 S., 175102.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Dynamics 100%
  • Trehalose 100%
  • Sucrose 100%
  • Maltose 100%
  • Computational Spectroscopy 100%

• Ion-Tagged Chiral Ligands for Asymmetric Transfer Hydrogenations in Aqueous Medium

  Palvoelgyi, A. M., Bitai, J., Zeindlhofer, V., Schroeder, C. & Bica, K., 4 Feb. 2019, in: ACS Sustainable Chemistry & Engineering. 7, 3, S. 3414-3423 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Hydrogenation 100%
  • Pool 33%
  • Ruthenium 33%
  • Structural Motif 33%
  • Aromatic Ketone 33%

• Polarizability in ionic liquid simulations causes hidden breakdown of linear response theory

  Heid, E. & Schroeder, C., 21 Jan. 2019, in: Physical Chemistry Chemical Physics. 21, 3, S. 1023-1028 6 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Solvation 100%
  • Permanent Dipole 16%

• Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore models

  Heid, E., Schmode, S., Chatterjee, P., MacKerell, A. D. & Schroeder, C., 28 Aug. 2019, in: Physical Chemistry Chemical Physics. 21, 32, S. 17703-17710 8 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Chromophore 100%
  • Solvation 100%
  • Polarizability 60%
  • Dipole Moment 40%
  • Ground State 40%

• Surface-Active Ionic Liquids in Catalytic Water Splitting

  Cognigni, A., Palvoegyi, A. M., Schroeder, C., Peterlik, H., Müllner, A., Zirbs, R., Weil, M. & Bica, K., 2019, in: Australian Journal of Chemistry. 72, 2, S. 34-41 8 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Water Splitting 100%
  • Oxidation Reaction 25%
  • Iridium 25%
  • Water Oxidation 25%

• Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic Polarization

  Heid, E., Fleck, M., Chatterjee, P., Schroeder, C. & MacKerell, A. D., Apr. 2019, in: Journal of Chemical Theory and Computation. 15, 4, S. 2460-2469 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Neural Network 100%
  • Multilayer Neural Networks 50%
• 2018

  Additive polarizabilities of halides in ionic liquids and organic solvents

  Heid, E., Heindl, M., Dienstl, P. & Schroeder, C., 28 Juli 2018, in: Journal of Chemical Physics. 149, 4, 7 S., 044302.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Halide 100%
  • Polarizability 100%
  • Organic Solvents 100%
  • Refractive Index 66%

• A shell-resolved analysis of preferential solvation of coffee ingredients in aqueous mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate

  Zeindlhofer, V., Berger, M., Steinhauser, O. & Schroeder, C., 21 Mai 2018, in: Journal of Chemical Physics. 148, 19, 11 S., 193819.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • 1-Ethyl-3-Methylimidazolium 100%
  • Solvation 100%
  • Hydroxyl Group 50%
  • Hydrogen Bonding 25%

• Evaluating excited state atomic polarizabilities of chromophores

  Heid, E., Hunt, P. A. & Schroeder, C., 7 Apr. 2018, in: Physical Chemistry Chemical Physics. 20, 13, S. 8554-8563 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Chromophore 100%
  • Excited State 100%
  • Polarizability 100%
  • Solvation 100%
  • Density 33%

• Langevin behavior of the dielectric decrement in ionic liquid water mixtures

  Heid, E., Docampo-Alvarez, B., Varela, L. M., Prosenz, K., Steinhauser, O. & Schroeder, C., 14 Juni 2018, in: Physical Chemistry Chemical Physics. 20, 22, S. 15106-15117 12 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Liquid Water 100%
  • Ionic Liquid 100%
  • Dielectric Material 100%
  • Permittivity 66%
  • Dielectric Constant 50%

• Molecular dynamics simulation of aqueous 1-dodecyl-3-methylimidazolium chloride: Emerging micelles

  Honegger, P., Schmollngruber, M., Hagn, G., Baig, O., von Baeckmann, C., Steinhauser, O. & Schroeder, C., 15 Dez. 2018, in: Journal of Molecular Liquids. 272, S. 766-777 12 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Dielectric Relaxation 100%
  • Small Angle X-Ray Scattering 100%
  • Nanomaterial 100%
  • Micelle 100%

• Quantum mechanical determination of atomic polarizabilities of ionic liquids

  Heid, E., Szabadi, A. & Schroeder, C., 28 Apr. 2018, in: Physical Chemistry Chemical Physics. 20, 16, S. 10992-10996 5 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Polarizability 100%
  • Ionic Liquid 100%
  • Molecular Polarizabilities 33%
  • Quantum Mechanical Calculations 33%

• Selective Hydrogenation of Aldehydes Using a Well-Defined Fe(II) PNP Pincer Complex in Biphasic Medium

  Weber, S., Bruenig, J., Zeindlhofer, V., Schroeder, C., Stoeger, B., Limbeck, A., Kirchner, K. & Bica, K., 9 Okt. 2018, in: ChemCatChem. 10, 19, S. 4386-4394 9 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • hydrogenation of aldehydes 100%
  • Pincer Complex 100%

• Solvation dynamics in polar solvents and imidazolium ionic liquids: failure of linear response approximations

  Heid, E. & Schröder, C., 21 Feb. 2018, in: Physical Chemistry Chemical Physics. 20, 7, S. 5246-5255 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Linear System 100%
  • Betaine 100%
  • Polar Solvent 100%
• 2017

  Computational analysis of the solvation of coffee ingredients in aqueous ionic liquid mixtures

  Zeindlhofer, V., Khlan, D., Bica, K. & Schroeder, C., 2017, in: RSC Advances . 7, 6, S. 3495-3504 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Liquid Mixture 100%
  • Solvation 100%
  • Free Energy 100%
  • Flavonoid 100%

• Effect of a Tertiary Butyl Group on Polar Solvation Dynamics in Aqueous Solution: A Computational Approach

  Heid, E. & Schroeder, C., 19 Okt. 2017, in: The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 121, 41, S. 9639-9646 8 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Chromophore 100%
  • Butyl Group 100%
  • Solvation 100%
  • Aqueous Solution 100%
  • Trimethylglycine 100%

• ForConX: A Forcefield Conversion Tool Based on XML

  Lesch, V., Diddens, D., Bernardes, C. E. S., Golub, B., Dequidt, A., Zeindlhofer, V., Sega, M. & Schroeder, C., Apr. 2017, in: Journal of Computational Chemistry. 38, 9, S. 629-638 10 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

• On the validity of linear response approximations regarding the solvation dynamics of polyatomic solutes

  Heid, E., Moser, W. & Schroeder, C., 7 Mai 2017, in: Physical Chemistry Chemical Physics. 19, 17, S. 10940-10950 11 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Gaussians 100%
  • Linear Response 100%
  • Gaussian Distribution 100%
  • Solvation 100%
  • Chromophore 100%

• Proteins in Ionic Liquids: Current Status of Experiments and Simulations

  Schroeder, C., Apr. 2017, in: Topics in Current Chemistry. 375, 2, 26 S., 25.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

• Thioglycolate-based task-specific ionic liquids: Metal extraction abilities vs acute algal toxicity

  Platzer, S., Leyma, R., Wolske, S., Kandioller, W., Heid, E., Schroeder, C., Schagerl, M., Krachler, R., Jirsa, F. & Keppler, B. K., 15 Okt. 2017, in: Journal of Hazardous Materials. 340, S. 113-119 7 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  Open Access

  • Ionic Liquid 100%
  • Activated Carbon 100%
  • Heavy Metal 100%
  • Tetradesmus 100%
  • Liquid Water 22%
• 2016

  Additive polarizabilities in ionic liquids

  Bernardes, C. E. S., Shimizu, K., Canongia Lopes, J. N., Marquetand, P., Heid, E., Steinhauser, O. & Schroeder, C., 21 Jan. 2016, in: Physical Chemistry Chemical Physics. 18, 3, S. 1665-1670 6 S.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Polarizability 100%
  • Refractive Index 40%
  • Density 40%
  • Atomic Volume 20%

• Charged, dipolar soft matter systems from a combined microscopic-mesoscopic viewpoint

  Schroeder, C. & Steinhauser, O., 1 Juli 2016, in: Journal of Physics: Condensed Matter. 28, 34, 7 S., 344008.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Dynamical Heterogeneity 50%

• Computational solvation dynamics of oxyquinolinium betaine linked to trehalose

  Heid, E. & Schroeder, C., 28 Okt. 2016, in: Journal of Chemical Physics. 145, 16, 9 S., 164507.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Trehalose 100%
  • Solvation 100%
  • Betaine 100%
  • Hydration Layer 37%
  • Chromophore 25%

• Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts

  Lesch, V., Montes-Campos, H., Mendez-Morales, T., Gallego, L. J., Heuer, A., Schroeder, C. & Varela, L. M., 28 Nov. 2016, in: Journal of Chemical Physics. 145, 20, 10 S., 204507.

  Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

  • Ionic Liquid 100%
  • Lithium Salt 100%
  • electronics 100%
  • Dynamic Analysis 100%
  • Electrolyte Solution 66%