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Entropy (Basel, Switzerland)|April 26, 2024
Characterizing Microheterogeneity in Liquid Mixtures via Local Density FluctuationsMichael Lass, Tobias Kenter, Christian Plessl, et al.Journal of Chemical Information and Modeling|September 19, 2018
An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric DataMartin Brehm, Martin ThomasMolecules (Basel, Switzerland)|April 3, 2021
Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase SimulationsMartin Brehm, Martin ThomasThe Journal of Chemical Physics|October 12, 2018
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetateMartin Brehm, Daniel SebastianiJournal of Chemical Theory and Computation|June 28, 2019
Computing Bulk Phase Resonance Raman Spectra from ab Initio Molecular Dynamics and Real-Time TDDFTMartin Brehm, Martin ThomasJournal of Chemical Information and Modeling|July 19, 2011
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectoriesMartin Brehm, Barbara KirchnerMolecules (Basel, Switzerland)|December 16, 2020
Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent InfluenceMoritz Weiß, Martin BrehmPhysical Chemistry Chemical Physics : PCCP|December 23, 2020
A force field for bio-polymers in ionic liquids (BILFF) - part 1: [EMIm][OAc]/water mixturesEliane Roos, Martin BrehmThe Journal of Physical Chemistry Letters|July 8, 2017
Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics SimulationsMartin Brehm, Martin ThomasPhysical Chemistry Chemical Physics : PCCP|March 10, 2023
A force field for bio-polymers in ionic liquids (BILFF) - part 2: cellulose in [EMIm][OAc]/water mixturesEliane Roos, Daniel Sebastiani, Martin BrehmPageof 8