Barbara Kirchner

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

Martin Brehm, Barbara Kirchner · Journal of Chemical Information and Modeling · 2011 · 1.3K citations

Engineering, Molecular Dynamics Trajectories, Trajectory Analyzer +17

TRAVIS—A free analyzer for trajectories from molecular simulation

Martin Brehm, M. Thomas, Sascha Gehrke et al. · The Journal of Chemical Physics · 2020 · 692 citations · Full text

Computational Biophysics, Engineering, Physics +13

Computing vibrational spectra from ab initio molecular dynamics

Martin A. Thomas, Martin Brehm, Reinhold Fligg et al. · Physical Chemistry Chemical Physics · 2013 · 576 citations

Engineering, Computational Chemistry, Chemistry +16

Characterising the Electronic Structure of Ionic Liquids: An Examination of the 1‐Butyl‐3‐Methylimidazolium Chloride Ion Pair

Patricia A. Hunt, Barbara Kirchner, Tom Welton · Chemistry - A European Journal · 2006 · 461 citations

Chloride Ion Pair, Engineering, Computational Chemistry +16

Task-Specific Ionic Liquid for Solubilizing Metal Oxides

Peter Nockemann, B. Thijs, S. Pittois et al. · The Journal of Physical Chemistry B · 2006 · 446 citations