Daniel Sebastiani (D Sebastiani)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Venues

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Nature communications

Martin-Luther-Universitat Halle-Wittenberg

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Martin-Luther-Universitat Halle-Wittenberg Sep 01 2012

Germany

Professor :: Chemistry

Publications

Marc Reimann, Christoph Kirsch, Daniel Sebastiani, Martin Kaupp
Rydberg electron stabilizes the charge localized state of the diamine cation. Nature communications 15 (1) (2024)
Marc Reimann, Christoph Kirsch, Daniel Sebastiani, Martin Kaupp
Rydberg electron stabilizes the charge localized state of the diamine cation. Nature communications 15 (1) (2024)
Thomas Kunze, Christian Dreßler, Christian Lauer, Wolfgang Paul, Daniel Sebastiani
Reverse Mapping of Coarse Grained Polyglutamine Conformations from PRIME20 Sampling. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (9) (2024)
Andy Künzel-Tenner, Christoph Kirsch, Oleksandr Dolynchuk, Leonard Rößner, Maxime Wach, Fabian Kempe, Thomas von Unwerth, Albena Lederer, Daniel Sebastiani, Marc Armbrüster, Michael Sommer
Proton-Conducting Membranes from Polyphenylenes Containing Armstrong's Acid. Macromolecules 57 (3) (2024)
Marc Reimann, Christoph Kirsch, Daniel Sebastiani, Martin Kaupp
Rydberg electron stabilizes the charge localized state of the diamine cation. Nature communications 15 (1) (2024)
Andy Künzel-Tenner, Christoph Kirsch, Oleksandr Dolynchuk, Leonard Rößner, Maxime Wach, Fabian Kempe, Thomas von Unwerth, Albena Lederer, Daniel Sebastiani, Marc Armbrüster, Michael Sommer
Proton-Conducting Membranes from Polyphenylenes Containing Armstrong's Acid. Macromolecules 57 (3) (2024)
Thomas Kunze, Christian Dreßler, Christian Lauer, Wolfgang Paul, Daniel Sebastiani
Reverse mapping of coarse grained polyglutamine conformations from PRIME20 sampling. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Marius-Andrei Codescu, Thomas Kunze, Moritz Weiß, Martin Brehm, Oleg Kornilov, Daniel Sebastiani, Erik T J Nibbering
Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole. The journal of physical chemistry letters (2023)
Eliane Roos, Daniel Sebastiani, Martin Brehm
BILFF: All-Atom Force Field for Modeling Triazolium- and Benzoate-Based Ionic Liquids. Molecules (Basel, Switzerland) 28 (22) (2023)
Christian Dreßler, Jonas Hänseroth, Daniel Sebastiani
Coexistence of Cationic and Anionic Phosphate Moieties in Solids: Unusual but Not Impossible. The journal of physical chemistry letters (2023)
Rana Kiani, Matthias Steimecke, Marah Alqaisi, Michael Bron, Daniel Sebastiani, Pouya Partovi-Azar
Characterization of sulfur/carbon copolymer cathodes for Li-S batteries: a combined experimental and ab initio Raman spectroscopy study. RSC advances 13 (40) (2023)
Eliane Roos, Daniel Sebastiani, Martin Brehm
A force field for bio-polymers in ionic liquids (BILFF) - part 2: cellulose in [EMIm][OAc]/water mixtures. Physical chemistry chemical physics : PCCP (2023)
Eliane Roos, Daniel Sebastiani, Martin Brehm
A force field for bio-polymers in ionic liquids (BILFF) - part 2: cellulose in [EMIm][OAc]/water mixtures. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Eliane Roos, Daniel Sebastiani, Martin Brehm
A force field for bio-polymers in ionic liquids (BILFF) - part 2: cellulose in [EMIm][OAc]/water mixtures. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Pouya Partovi-Azar, Daniel Sebastiani
Minimal Optimized Effective Potentials for Density Functional Theory Studies on Excited-State Proton Dissociation. Micromachines 12 (6) (2021)
Laura Katharina Scarbath-Evers, René Hammer, Dorothea Golze, Martin Brehm, Daniel Sebastiani, Wolf Widdra
From flat to tilted: gradual interfaces in organic thin film growth. Nanoscale 12 (6) (2020)
Sascha Jähnigen, Daniel Sebastiani
Carbon Atoms Speaking Out: How the Geometric Sensitivity of 13C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJ. Molecules (Basel, Switzerland) 25 (23) (2020)
Christopher Peschel, Christian Dreßler, Daniel Sebastiani
ab-Initio Study of Hydrogen Bond Networks in 1,2,3-Triazole Phases. Molecules (Basel, Switzerland) 25 (23) (2020)
Martin Brehm, Julian Radicke, Martin Pulst, Farzaneh Shaabani, Daniel Sebastiani, Joerg Kressler
Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions. Molecules (Basel, Switzerland) 25 (15) (2020)
Somayeh Khazaei, Daniel Sebastiani
Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction. The Journal of chemical physics 147 (19) (2018)
Martin Brehm, Daniel Sebastiani
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate. The Journal of chemical physics 148 (19) (2018)
Sascha Jähnigen, Arne Scherrer, Rodolphe Vuilleumier, Daniel Sebastiani
Chiral Crystal Packing Induces Enhancement of Vibrational Circular Dichroism. Angewandte Chemie (International ed. in English) 57 (40) (2018)
Svetlana Pylaeva, Martin Brehm, Daniel Sebastiani
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect. Scientific reports 8 (1) (2018)
S A Pylaeva, H Elgabarty, Daniel Sebastiani, Peter M Tolstoy
Symmetry and dynamics of FHF- anion in vacuum, in CD2Cl2 and in CCl4. Ab initio MD study of fluctuating solvent-solute hydrogen and halogen bonds. Physical chemistry chemical physics : PCCP 19 (38) (2018)
Felix Hoffmann, Juliane Adler, Bappaditya Chandra, Kaustubh R Mote, Gül Bekçioğlu-Neff, Daniel Sebastiani, Daniel Huster
Perturbation of the F19-L34 Contact in Amyloid β (1-40) Fibrils Induces Only Local Structural Changes but Abolishes Cytotoxicity. The journal of physical chemistry letters 8 (19) (2017)
Xiang-Yang Guo, Christopher Peschel, Tobias Watermann, Guido Falk von Rudorff, Daniel Sebastiani
Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer. Polymers 9 (10) (2017)
Svetlana Pylaeva, Konstantin L Ivanov, Marc Baldus, Daniel Sebastiani, Hossam Elgabarty
Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids. The journal of physical chemistry letters 8 (10) (2017)
Felix Hoffmann, Da-Wei Li, Daniel Sebastiani, Rafael Brüschweiler
Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of Unknowns. The journal of physical chemistry. A 121 (16) (2017)
Christopher Peschel, Martin Brehm, Daniel Sebastiani
Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7). Polymers 9 (9) (2017)

Daniel Sebastiani.css-eqlu8i{font-size:small;padding-left:4px;} (D Sebastiani)

Publication Activity (10 Years)

Top Topics

Top Venues

Daniel Sebastiani (D Sebastiani)