HPC Hessen Logo

Liste der Projekte - Chemie

The oxidation of alcohols to esters and the reverse reaction (reduction of esters to alcohols) is an important chemical transformation frequently used...

Weiterlesen

In unserem Arbeitskreis wurden folgende Projekte mit Hilfe des Rechenclusters MaRC2 durchgeführt. Aufgrund der enormen Größe der berechneten Systeme,...

Weiterlesen

Als Standardverfahren zur Strukturbestimmung von Kristallen dient in erster Linie die Röntgenbeugung an Einkristallen oder kristallinen Pulvern. Die...

Weiterlesen

The Schäfer group is driven by the aim to understand life at the molecular level: can we describe biomolecular systems from the basic principles of...

Weiterlesen

Macromolecules in aqueous solution, such as water soluble polymers or proteins, coexist as an ensemble of folded states in equilibrium with an...

Weiterlesen

Siloles are five-membered heterocyclic dienes, in which a silicon atom replaces one of the carbon atoms of cyclopentadiene. Silole derivatives find...

Weiterlesen

Kohlensäure. Durch die Entwicklung einer neuen Methode zur Darstellung der molekularen Kohlensäure in der Gasphase mittels Esterpyrolyse konnte...

Weiterlesen

Most research on visual recognition focuses on objects, which are defined primarily by their shape. By contrast, fluids and other deformable materials...

Weiterlesen

The driving forces of different biological processes like protein folding and protein-protein association are very important to understand. After more...

Weiterlesen

In our daily life and many of industrial applications, we usually find fluids which interact with solid substrates. Although a lot of researches have...

Weiterlesen

Forschungsfelder