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Daniel Sebastiani

Showing results (21-30 of 105) with videos related to

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Scientific Reports|September 13, 2018
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic EffectSvetlana 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 timescalesGabriel 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 phaseArne Scherrer, Rodolphe Vuilleumier, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP|February 25, 2014
Phycocyanobilin in solution--a solvent triggered molecular switchTobias 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 solutionSascha Jähnigen, Daniel Sebastiani, Rodolphe Vuilleumier
The Journal of Physical Chemistry. B|February 26, 2015
Water wires in aqueous solutions from first-principles calculationsGül 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 SystemsGabriel 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 ImpossibleChristian 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 DynamicsGül Bekçioğlu, Felix Hoffmann, Daniel Sebastiani
Pageof 11

Showing results (21-30 of 105) with videos related to

Sort By:
Pageof 11
Scientific Reports|September 13, 2018
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic EffectSvetlana 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 timescalesGabriel 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 phaseArne Scherrer, Rodolphe Vuilleumier, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP|February 25, 2014
Phycocyanobilin in solution--a solvent triggered molecular switchTobias 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 solutionSascha Jähnigen, Daniel Sebastiani, Rodolphe Vuilleumier
The Journal of Physical Chemistry. B|February 26, 2015
Water wires in aqueous solutions from first-principles calculationsGül 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 SystemsGabriel 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 ImpossibleChristian 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 DynamicsGül Bekçioğlu, Felix Hoffmann, Daniel Sebastiani
Pageof 11