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Chemsuschem
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May 24, 2016
Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids
Dzmitry S Firaha, Barbara Kirchner
Inorganic Chemistry
|
March 3, 2007
Ionic liquids from Car-Parrinello simulations. 2. Structural diffusion leading to large anions in chloraluminate ionic liquids
Barbara Kirchner, Ari P Seitsonen
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 16, 2020
Understanding the Complex Surface Interplay for Extraction: A Molecular Dynamics Study
Roberto Macchieraldo, Johannes Ingenmey, Barbara Kirchner
Chemsuschem
|
May 10, 2018
How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems
Johannes Ingenmey, Sascha Gehrke, Barbara Kirchner
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 24, 2016
Charge Spreading in Deep Eutectic Solvents
Stefan Zahn, Barbara Kirchner, Doreen Mollenhauer
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2019
Understanding the fluidity of condensed phase systems in terms of voids-novel algorithm, implementation and application
Sascha Gehrke, Roberto Macchieraldo, Barbara Kirchner
Physical Chemistry Chemical Physics : PCCP
|
December 19, 2014
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
Martin Thomas, Martin Brehm, Barbara Kirchner
The Journal of Physical Chemistry. B
|
April 25, 2024
Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations
Leonard Dick, Kai Buchmüller, Barbara Kirchner
The Journal of Physical Chemistry. B
|
January 16, 2008
When is a molecule properly solvated by a continuum model or in a cluster ansatz? A first-principles simulation of alanine hydration
Jens Thar, Stefan Zahn, Barbara Kirchner
Journal of Chemical Theory and Computation
|
December 4, 2015
Basis Set Superposition Error along the Free-Energy Surface of the Water Dimer
Jens Thar, Rainer Hovorka, Barbara Kirchner
Page
of 20
Search research articles
Search
Showing results (21-30 of 198) with videos related to
Sort By:
Page
of 20
Chemsuschem
|
May 24, 2016
Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids
Dzmitry S Firaha, Barbara Kirchner
Inorganic Chemistry
|
March 3, 2007
Ionic liquids from Car-Parrinello simulations. 2. Structural diffusion leading to large anions in chloraluminate ionic liquids
Barbara Kirchner, Ari P Seitsonen
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 16, 2020
Understanding the Complex Surface Interplay for Extraction: A Molecular Dynamics Study
Roberto Macchieraldo, Johannes Ingenmey, Barbara Kirchner
Chemsuschem
|
May 10, 2018
How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems
Johannes Ingenmey, Sascha Gehrke, Barbara Kirchner
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 24, 2016
Charge Spreading in Deep Eutectic Solvents
Stefan Zahn, Barbara Kirchner, Doreen Mollenhauer
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2019
Understanding the fluidity of condensed phase systems in terms of voids-novel algorithm, implementation and application
Sascha Gehrke, Roberto Macchieraldo, Barbara Kirchner
Physical Chemistry Chemical Physics : PCCP
|
December 19, 2014
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
Martin Thomas, Martin Brehm, Barbara Kirchner
The Journal of Physical Chemistry. B
|
April 25, 2024
Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations
Leonard Dick, Kai Buchmüller, Barbara Kirchner
The Journal of Physical Chemistry. B
|
January 16, 2008
When is a molecule properly solvated by a continuum model or in a cluster ansatz? A first-principles simulation of alanine hydration
Jens Thar, Stefan Zahn, Barbara Kirchner
Journal of Chemical Theory and Computation
|
December 4, 2015
Basis Set Superposition Error along the Free-Energy Surface of the Water Dimer
Jens Thar, Rainer Hovorka, Barbara Kirchner
Page
of 20