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Molecules (Basel, Switzerland)|December 8, 2020
ab-Initio Study of Hydrogen Bond Networks in 1,2,3-Triazole PhasesChristopher Peschel, Christian Dreßler, Daniel SebastianiScientific Reports|September 13, 2018
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic EffectSvetlana Pylaeva, Martin Brehm, Daniel SebastianiPolymers|April 11, 2019
Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)Christopher Peschel, Martin Brehm, Daniel SebastianiPhysical Chemistry Chemical Physics : PCCP|October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescalesGabriel Kabbe, Christian Dreßler, Daniel SebastianiThe 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 SebastianiPhysical Chemistry Chemical Physics : PCCP|February 25, 2014
Phycocyanobilin in solution--a solvent triggered molecular switchTobias Watermann, Hossam Elgabarty, Daniel SebastianiChemistry, an Asian Journal|January 22, 2011
Electronic effects of para-substitution on the melting points of TAAILsTobias Schulz, Sebastian Ahrens, Dirk Meyer, et al.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 VuilleumierJournal 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 SebastianiThe 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 SebastianiPageof 24