Die verschiedenen Architekturen der Hochleistungsrechner sind ausgerichtet auf die Forschungsschwerpunkte der einzelnen Standorte und bieten den Wissenschaftlerinnen und Wissenschaftlern in Hessen die besten Voraussetzungen für ihre rechenintensiven Forschungsaufgaben.
Non-covalent interactions (NCIs) not only govern the structure biomacromolecules such as proteins and DNA, but often ...
Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...
In the past centuries chemists have established a solid knowledge for the synthesis of molecules in solution. With the ...
Collections of texts are considered as a valuable source of information for applied economic analysis. Recent ...
Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...
White light generation (WLG) is one of the most puzzling and exciting topics in nonlinear optics. Strictly speaking, WLG ...
A class of cluster materials with an adamantane-like core structure (AdR4 or [(RE)4T6]; R=organic structure; E=Si, Ge ...
Verdazyl radicals are discussed as a possible candidate for application in organic redox flow batteries. These species ...
Ideal one-dimensional (1D) electronic systems are fascinating, as they show quantisation of conductance, charge-density ...
The field of spintronics recently gained much interest because it promises faster, smaller and less energy consuming ...
Ammonia borane (NH3BH3) is an easy to handle solid capable of releasing up to 3 equivalents of dihydrogen and therefore ...
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
After the matrix isolation of aminomethylene (H-C̈-NH2)[1] we study further the formation of amino acids and sugars in ...
Alkali metal-oxygen batteries have a particularly high energy density and therefore concepts for rechargeable batteries ...
Novel methods to access complex molecular structures open new avenues for applications in medicalas well as material ...
Novel methods to access complex molecular structures open new avenues for applications in medical as well as material ...
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
Alkanes are attractive feedstock chemicals due to their natural occurrence and they offer access to a wide variety of ...
Carbohydrates “(CH2O)n” or sugars are the formal adducts of carbon (atoms) to water with a repeating unit that ...
Ideal one-dimensional electronic systems are characterized by unusual and fascinating physical phenomena, including ...
Our research focuses on the activation of stable bonds/small molecules. This is traditionally accomplished by transition ...
Azobenzenes (AB) are promising candidates for molecular solar thermal energy storage (MOST) systems. After synthesizing ...
Curved aromatic molecules are unique compounds as they combine special properties due to the delocalized π-system, with ...
Our investigation aimed at determining the photo-physical properties of an ammonium tagged azobenzene 1 in comparison to ...
Due to an ever-increasing energy demand worldwide, new and efficient energy storage systems are needed more and more ...
London dispersion forces help explaining unexpected attractive interactions of organic material. During the last century ...
Sulfur-containing compounds present in the earth’s atmosphere impact cloud formation and thus our climate. The main ...
Adding dispersion energy donors (DED) to a system can severely change the outcome of a reaction.[1] The concept of a DED ...
While quantum-mechanical tunneling (QMT) was recognized early in the emerging field of quantum theory as an accelerating ...
