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List of works by Christian Schröder

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

scientific article published on 01 May 2018

Additive polarizabilities in ionic liquids

scientific article published on 17 December 2015

Additive polarizabilities of halides in ionic liquids and organic solvents

scientific article published on 01 July 2018

Alchemical free energy calculations and multiple conformational substates

scientific article published in February 2005

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

scientific article published on 04 July 2016

Collective rotational dynamics in ionic liquids: A computational and experimental study of 1-butyl-3-methyl-imidazolium tetrafluoroborate

article

Collective translational motions and cage relaxations in molecular ionic liquids ⬇️

scientific article published on July 14, 2011

Communication: Solvation and dielectric response in ionic liquids--conductivity extension of the continuum model

scientific article published on 01 March 2013

Comparing induced point-dipoles and Drude oscillators

scientific article published in June 2015

Comparing reduced partial charge models with polarizable simulations of ionic liquids ⬇️

scientific article published on January 27, 2012

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

scientific article published on January 2017

Computational solvation analysis of biomolecules in aqueous ionic liquid mixtures : From large flexible proteins to small rigid drugs

scientific article published on 23 April 2018

Computational solvation dynamics of oxyquinolinium betaine linked to trehalose

scientific article published in October 2016

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

scientific article published on 01 May 2019

Computational studies of ionic liquids: size does matter and time too.

scientific article published in September 2012

Dielectric and terahertz spectroscopy of polarizable and nonpolarizable water models: a comparative study

scientific article published on 21 August 2014

Dielectric spectra of ionic liquids and their conversion to solvation dynamics: a detailed computational analysis of polarizable systems

article

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

scientific article published on 14 August 2020

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

scientific article published on 25 September 2017

Evaluating excited state atomic polarizabilities of chromophores.

scientific article published in March 2018

ForConX: A forcefield conversion tool based on XML.

scientific article published in April 2017

Hydrated Ionic Liquids with and without Solute: The Influence of Water Content and Protein Solutes

scientific article published on 20 June 2012

Impact of anisotropy on the structure and dynamics of ionic liquids: A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate

article

Langevin behavior of the dielectric decrement in ionic liquid water mixtures

scientific article published on 01 June 2018

Micellar catalysis in aqueous-ionic liquid systems

scientific article published on 17 April 2012

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

scientific article published on 29 May 2019

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

scientific article published in November 2016

On the collective network of ionic liquid/water mixtures. I. Orientational structure.

scientific article published in December 2007

On the collective network of ionic liquid/water mixtures. III. Structural analysis of ionic liquids on the basis of Voronoi decomposition.

scientific article published in May 2009

On the collective network of ionic liquid/water mixtures. IV. Kinetic and rotational depolarization

scientific article published on 01 May 2014

On the computation and contribution of conductivity in molecular ionic liquids

scientific article published in April 2008

On the dielectric conductivity of molecular ionic liquids

scientific article published in September 2009

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

scientific article published on 12 April 2017

Orientational alignment of amyloidogenic proteins in pre-aggregated solutions

scientific article published in Physical Review Letters

Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: application to an ionic liquid

scientific article

Polarisabilities of alkylimidazolium ionic liquids.

scientific article published on 22 January 2013

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

scientific article published on 02 January 2019

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

scientific article published on 01 January 2020

Polarization effects on the solvation dynamics of coumarin C153 in ionic liquids: Components and their cross-correlations

article

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

scientific article published on 7 February 2017

Quantum mechanical determination of atomic polarizabilities of ionic liquids

scientific article published on 01 April 2018

Relaxation of Voronoi shells in hydrated molecular ionic liquids

scientific article published in November 2009

Simulating polarizable molecular ionic liquids with Drude oscillators ⬇️

scientific article published on October 21, 2010

Simulation studies of ionic liquids: orientational correlations and static dielectric properties

scientific article published in December 2006

Simulation studies of the protein-water interface. I. Properties at the molecular resolution

Simulation studies of the protein-water interface. II. Properties at the mesoscopic resolution

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

scientific article published on 5 February 2018

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

scientific article published on 01 August 2019

Solvation studies of a zinc finger protein in hydrated ionic liquids

scientific article published on 09 March 2011

Surface-active ionic liquids in micellar catalysis: impact of anion selection on reaction rates in nucleophilic substitutions

scientific article published on 28 April 2016

The effect of Thole functions on the simulation of ionic liquids with point induced dipoles at various densities

article

The influence of electrostatic forces on the structure and dynamics of molecular ionic liquids

scientific article

The influence of polarizability on the dielectric spectrum of the ionic liquid 1-ethyl-3-methylimidazolium triflate

scientific article published on 3 June 2011

The physical significance of the Kamlet-Taft <i>π</i>* parameter of ionic liquids

scientific article published on 07 January 2021

The small impact of various partial charge distributions in ground and excited state on the computational Stokes shift of 1-methyl-6-oxyquinolinium betaine in diverse water models

scientific article published in October 2016

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

scientific article

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

scientific article published on 12 March 2019

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

scientific article published on 04 March 2020

Using fit functions in computational dielectric spectroscopy

scientific article published in June 2010

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