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Physical Chemistry Chemical Physics : PCCP
|
March 6, 2012
Proton transfer and polarity changes in ionic liquid-water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate-water mixtures--part 1
Martin Brehm, Henry Weber, Alfonso S Pensado, et al.
The Journal of Chemical Physics
|
November 7, 2012
A one-parameter quantum cluster equilibrium approach
Marc Brüssel, Eva Perlt, Michael von Domaros, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 17, 2013
Understanding the evaporation of ionic liquids using the example of 1-ethyl-3-methylimidazolium ethylsulfate
Friedrich Malberg, Martin Brehm, Oldamur Hollóczki, et al.
Journal of Chemical Theory and Computation
|
December 30, 2020
Efficient EOM-CC-based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study
Madhubani Mukherjee, Divya Tripathi, Martin Brehm, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 3, 2012
Effect of dispersion on the structure and dynamics of the ionic liquid 1-ethyl-3-methylimidazolium thiocyanate
Alfonso S Pensado, Martin Brehm, Jens Thar, et al.
Molecules (Basel, Switzerland)
|
August 5, 2020
Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions
Martin Brehm, Julian Radicke, Martin Pulst, et al.
Journal of Chemical Information and Modeling
|
October 31, 2022
Cluster Analysis in Liquids: A Novel Tool in TRAVIS
Tom Frömbgen, Jan Blasius, Vahideh Alizadeh, et al.
The Journal of Physical Chemistry. B
|
December 22, 2010
Performance of quantum chemically derived charges and persistence of ion cages in ionic liquids. A molecular dynamics simulations study of 1-n-butyl-3-methylimidazolium bromide
Miriam Kohagen, Martin Brehm, Jens Thar, et al.
JACS Au
|
January 2, 2023
Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF-NaF-ZrF<sub>4</sub> Molten Salt
Rajni Chahal, Santanu Roy, Martin Brehm, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2018
Nanoscopic structures and molecular interactions leading to a dystectic and two eutectic points in [EMIm][Cl]/urea mixtures
Ulrike Cerajewski, Jennica Träger, Selgar Henkel, et al.
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Search research articles
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Showing results (31-40 of 60) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2012
Proton transfer and polarity changes in ionic liquid-water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate-water mixtures--part 1
Martin Brehm, Henry Weber, Alfonso S Pensado, et al.
The Journal of Chemical Physics
|
November 7, 2012
A one-parameter quantum cluster equilibrium approach
Marc Brüssel, Eva Perlt, Michael von Domaros, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 17, 2013
Understanding the evaporation of ionic liquids using the example of 1-ethyl-3-methylimidazolium ethylsulfate
Friedrich Malberg, Martin Brehm, Oldamur Hollóczki, et al.
Journal of Chemical Theory and Computation
|
December 30, 2020
Efficient EOM-CC-based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study
Madhubani Mukherjee, Divya Tripathi, Martin Brehm, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 3, 2012
Effect of dispersion on the structure and dynamics of the ionic liquid 1-ethyl-3-methylimidazolium thiocyanate
Alfonso S Pensado, Martin Brehm, Jens Thar, et al.
Molecules (Basel, Switzerland)
|
August 5, 2020
Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions
Martin Brehm, Julian Radicke, Martin Pulst, et al.
Journal of Chemical Information and Modeling
|
October 31, 2022
Cluster Analysis in Liquids: A Novel Tool in TRAVIS
Tom Frömbgen, Jan Blasius, Vahideh Alizadeh, et al.
The Journal of Physical Chemistry. B
|
December 22, 2010
Performance of quantum chemically derived charges and persistence of ion cages in ionic liquids. A molecular dynamics simulations study of 1-n-butyl-3-methylimidazolium bromide
Miriam Kohagen, Martin Brehm, Jens Thar, et al.
JACS Au
|
January 2, 2023
Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF-NaF-ZrF<sub>4</sub> Molten Salt
Rajni Chahal, Santanu Roy, Martin Brehm, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2018
Nanoscopic structures and molecular interactions leading to a dystectic and two eutectic points in [EMIm][Cl]/urea mixtures
Ulrike Cerajewski, Jennica Träger, Selgar Henkel, et al.
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