Barbara Kirchner

9PUBLICATIONS
13CO-AUTHORS
Chemical and thermal processes in energy and combustionStructure and dynamics of materialsAutomated software engineeringMolecular imaging (incl. electron microscopy and neutron diffraction)Chemical thermodynamics and energetics
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Publications (9)

|Sep 16, 2021
Calculation of improved enthalpy and entropy of vaporization by a modified partition function in quantum cluster equilibrium theory.

Paul Zaby, Johannes Ingenmey, Barbara Kirchner

|Sep 02, 2021
Molecular level insight into the solvation of cellulose in deep eutectic solvents.

Vahideh Alizadeh, Barbara Kirchner

|Mar 09, 2021
How is CO2 absorbed into a deep eutectic solvent?

Vahideh Alizadeh, Lars Esser, Barbara Kirchner

|May 03, 2020
TRAVIS-A free analyzer for trajectories from molecular simulation.

M Brehm, M Thomas, S Gehrke

|Nov 03, 2019
Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid.

Ryan Clark, Michael von Domaros, Alastair J S McIntosh

|Oct 12, 2018
Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies.

Eva Perlt, Promit Ray, Andreas Hansen

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Frequent Collaborators

3 joint publications

Michael von Domaros

2 joint publications

Eva Perlt

2 joint publications

Stefan Grimme

2 joint publications

Vahideh Alizadeh