Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 71
Controlling the Aggregation of Phosphorescent alkynyl-Pt-NHC Complexes via Silyl-DED Substitution
Non-covalent interactions (NCIs) not only govern the structure biomacromolecules such as proteins and DNA, but often ...
Natural SciencesPhysical and Theoretical Chemistry
Principles of On-Surface Synthesis
In the past centuries chemists have established a solid knowledge for the synthesis of molecules in solution. With the ...
Natural SciencesTheoretical Condensed Matter Physics
Combining Text Mining and Multivariate Time Series Modelling
Collections of texts are considered as a valuable source of information for applied economic analysis. Recent ...
Humanities and Social SciencesEconomics
Optical Response of (Hetero)Adamantine Clusters
White light generation (WLG) is one of the most puzzling and exciting topics in nonlinear optics. Strictly speaking, WLG ...
Natural SciencesTheoretical Condensed Matter Physics
On the Protonation of Verdazyl Species in Aqueous Acidic Electrolytes
Verdazyl radicals are discussed as a possible candidate for application in organic redox flow batteries. These species ...
Natural SciencesPhysical and Theoretical Chemistry
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry
Asymmetric, Lewis-Acid Catalysed, Diels-Alder Reactions of Phthalazine
Novel methods to access complex molecular structures open new avenues for applications in medicalas well as material ...
Natural SciencesMolecular Chemistry
Bidentate Lewis-Acid Catalysed Diels-Alder Reactions
Novel methods to access complex molecular structures open new avenues for applications in medical as well as material ...
Natural SciencesMolecular Chemistry-
Computational Modeling of Photoswitches and Diels-Alder Reactions
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry -
Design and Synthesis of Arylphosphinidenes and Phosphirenes
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry 
Electrical Conductivity and Relaxation via Colored Noise in a Hadronic Gas
Calculating transport properties such as the electrical conductivity of a strongly interacting hadron gas is a difficult ...
Natural SciencesParticles, Nuclei and Fields-
Gas-Phase Sugar Formation Using Hydroxymethylene as the Reactive Formaldehyde Isomer
Carbohydrates “(CH2O)n” or sugars are the formal adducts of carbon (atoms) to water with a repeating unit that ...
Natural SciencesMolecular Chemistry 
Hadronic Non-Equilibrium Photon Production
The smallest constituents of matter and their properties are studied by means of relativistic heavy ion collisions ...
Natural SciencesParticles, Nuclei and Fields-
In Silico Design and Synthesis of Novel, Metal-Free Systems for Bond Activation and Catalysis
Our research focuses on the activation of stable bonds/small molecules. This is traditionally accomplished by transition ...
Natural SciencesMolecular Chemistry 
Intermolecular London Dispersion Interactions of Azobenzene Switches
Azobenzenes (AB) are promising candidates for molecular solar thermal energy storage (MOST) systems. After synthesizing ...
Natural SciencesMolecular Chemistry-
Investigating of New Supramolecular Complexes
Curved aromatic molecules are unique compounds as they combine special properties due to the delocalized π-system, with ...
Natural SciencesMolecular Chemistry -
Investigating the Switching Dynamics of an Ammonium-tagged Azobenzene in the Gas Phase and in Polar Solvents
Our investigation aimed at determining the photo-physical properties of an ammonium tagged azobenzene 1 in comparison to ...
Natural SciencesMolecular Chemistry 
Matrix Isolation of Sulfur Containing Reactive Intermediates
Sulfur-containing compounds present in the earth’s atmosphere impact cloud formation and thus our climate. The main ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry-
Stabilization by Dispersion Donors in the Z Isomer of Non-Symmetric Azobenzene
The determination of the strength of London dispersion interactions between polarizable groups is connected with some ...
Natural SciencesMolecular Chemistry -
Tunnex: An Easy to Use Program to Compute Tunneling Rates
The behavior of small quantized particles to overcome potential energy barriers despite a lack of sufficient energy must ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry 
Convective Hazards in Hesse and Rhineland-Palatinate
Atmospheric deep convection, commonly known as thunderstorms in its most severe form, poses a severe threat to human ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research-
Ab-initio-Untersuchung von Zinnoxiden
Zinnoxide mit verschiedenen Zusammensetzungen: Auf dem Weg zum elektronischen Bauelement Zinn ist ein ungiftiges ...
Natural SciencesParticles, Nuclei and Fields -
Aktivitätsgetragene neuronale Repräsentation von Vorinformation in der visuellen Wahrnehmung
Während der Wahrnehmung von visuellen Stimuli greifen wir ständig auf gespeicherte Informationen aus unserer bisherigen ...
Life SciencesNeurosciences -
ALICE Experiment - The Search for Signatures of the Quark-Gluon Plasma
The group participates in the ALICE experiment at the Large Hadron Collider (LHC) at CERN. The research activities focus ...
Natural SciencesOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas 
Centrality Dependence of the Direct Photon Emission
In our work,[1] the photons produced by partonic interactions in the quark-gluon plasma phase was found to have small ...
Natural SciencesOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas-
Control of London Dispersion Forces in molecular chemistry
Introduction: Since attractive forces in molecular chemistry are often neglected in molecular chemistry we want to ...
Natural SciencesMolecular Chemistry 
Density Functional Theory: Study on the Mechanism of the Chloride-Induced Aufbau of Perchlorinated Cyclohexasilanes
Nano- and micrometer-scaled silicon structures are essential components not only in microelectronic but also in ...
Natural SciencesAnalytical Chemistry, Method Development (Chemistry)-
Development and Implementation of New Methods for Crystal Structure Determination from Powder Diffraction Data
A new method for the determination of organic crystal structures from powder diffraction data has been developed. The ...
Natural SciencesChemical Solid State and Surface Research 
Dichtefunktionaltheoretische Berechnungen von Vibrationsspektren oberflächen-aktiver Moleküle
Eines der Hauptarbeitsgebiete unserer Gruppe ist die gezielte Modifikation von Oberflächen. Zu diesem Zweck setzen wir ...
Natural SciencesChemical Solid State and Surface Research-
Die Whitehead‘sche Asphärizitätsvermutung
Ein 2-Komplex K heißt asphärisch, wenn jede stetige Abbildung einer 2-Sphäre S nach K homotopieäquivalent zur der ...
Natural SciencesMathematics
