Daniela Sebastiani

Publications (4)

Ultrafast Proton Transport between a Hydroxy Acid and a Nitrogen Base along Solvent Bridges Governed by the Hydroxide/Methoxide Transfer Mechanism.

Journal of the American Chemical Society
Avec: Maria Ekimova , Felix Hoffmann , Gül Bekçioğlu-Neff , Aidan Rafferty , Oleg Kornilov , Erik T J Nibbering , Daniel Sebastiani

Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state.

The Journal of chemical physics
Avec: Pouya Partovi-Azar , Daniel Sebastiani

ab-Initio Study of Hydrogen Bond Networks in 1,2,3-Triazole Phases.

Molecules (Basel, Switzerland)
Avec: Christopher Peschel , Christian Dreßler , Daniel Sebastiani

The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution.

Physical chemistry chemical physics : PCCP
Avec: Sascha Jähnigen , Daniel Sebastiani , Rodolphe Vuilleumier

Réseau de co-auteurs

Daniel Sebastiani 4 collaborations
Maria Ekimova 1 collaboration
Felix Hoffmann 1 collaboration
Gül Bekçioğlu-Neff 1 collaboration
Aidan Rafferty 1 collaboration
Oleg Kornilov 1 collaboration
Erik T J Nibbering 1 collaboration
Pouya Partovi-Azar 1 collaboration
Christopher Peschel 1 collaboration
Christian Dreßler 1 collaboration
Sascha Jähnigen 1 collaboration
Rodolphe Vuilleumier 1 collaboration