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Scientific Reports
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September 13, 2018
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect
Svetlana Pylaeva, Martin Brehm, Daniel Sebastiani
Polymers
|
April 11, 2019
Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)
Christopher Peschel, Martin Brehm, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Gabriel Kabbe, Christian Dreßler, Daniel Sebastiani
The Journal of Chemical Physics
|
September 3, 2016
Vibrational circular dichroism from ab initio molecular dynamics and nuclear velocity perturbation theory in the liquid phase
Arne Scherrer, Rodolphe Vuilleumier, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
February 25, 2014
Phycocyanobilin in solution--a solvent triggered molecular switch
Tobias Watermann, Hossam Elgabarty, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2021
The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution
Sascha Jähnigen, Daniel Sebastiani, Rodolphe Vuilleumier
The Journal of Physical Chemistry. B
|
February 26, 2015
Water wires in aqueous solutions from first-principles calculations
Gül Bekçioğlu, Christoph Allolio, Daniel Sebastiani
Journal of Chemical Theory and Computation
|
November 21, 2015
A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems
Gabriel Kabbe, Christoph Wehmeyer, Daniel Sebastiani
The Journal of Physical Chemistry Letters
|
August 8, 2023
Coexistence of Cationic and Anionic Phosphate Moieties in Solids: Unusual but Not Impossible
Christian Dreßler, Jonas Hänseroth, Daniel Sebastiani
The Journal of Physical Chemistry. A
|
August 18, 2015
Solvation-Dependent Latency of Photoacid Dissociation and Transient IR Signatures of Protonation Dynamics
Gül Bekçioğlu, Felix Hoffmann, Daniel Sebastiani
Page
of 11
Search research articles
Search
Showing results (21-30 of 105) with videos related to
Sort By:
Page
of 11
Scientific Reports
|
September 13, 2018
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect
Svetlana Pylaeva, Martin Brehm, Daniel Sebastiani
Polymers
|
April 11, 2019
Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)
Christopher Peschel, Martin Brehm, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Gabriel Kabbe, Christian Dreßler, Daniel Sebastiani
The Journal of Chemical Physics
|
September 3, 2016
Vibrational circular dichroism from ab initio molecular dynamics and nuclear velocity perturbation theory in the liquid phase
Arne Scherrer, Rodolphe Vuilleumier, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
February 25, 2014
Phycocyanobilin in solution--a solvent triggered molecular switch
Tobias Watermann, Hossam Elgabarty, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2021
The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution
Sascha Jähnigen, Daniel Sebastiani, Rodolphe Vuilleumier
The Journal of Physical Chemistry. B
|
February 26, 2015
Water wires in aqueous solutions from first-principles calculations
Gül Bekçioğlu, Christoph Allolio, Daniel Sebastiani
Journal of Chemical Theory and Computation
|
November 21, 2015
A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems
Gabriel Kabbe, Christoph Wehmeyer, Daniel Sebastiani
The Journal of Physical Chemistry Letters
|
August 8, 2023
Coexistence of Cationic and Anionic Phosphate Moieties in Solids: Unusual but Not Impossible
Christian Dreßler, Jonas Hänseroth, Daniel Sebastiani
The Journal of Physical Chemistry. A
|
August 18, 2015
Solvation-Dependent Latency of Photoacid Dissociation and Transient IR Signatures of Protonation Dynamics
Gül Bekçioğlu, Felix Hoffmann, Daniel Sebastiani
Page
of 11