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Displaying 91 - 120 of 152
Global Optimization of Gadolinium Doped Tin Clusters
Gadolinium-doped tin clusters belong to an interesting class of nanoalloys. They combine the quasi-aromatically ...
NaturwissenschaftenMolekülchemie
Improvement of Single- and Multicore Performance of Compressible and Incompressible Flow Solver Within the BoSSS Framework
Within the past decade, discontinuous Galerkin (DG) methods have attracted significant interest in a broad range of ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
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 ...
NaturwissenschaftenMolekülchemie 
Intermolecular London Dispersion Interactions of Azobenzene Switches
Azobenzenes (AB) are promising candidates for molecular solar thermal energy storage (MOST) systems. After synthesizing ...
NaturwissenschaftenMolekülchemie-
Investigating of New Supramolecular Complexes
Curved aromatic molecules are unique compounds as they combine special properties due to the delocalized π-system, with ...
NaturwissenschaftenMolekülchemie -
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 ...
NaturwissenschaftenMolekülchemie 
Investigations of the Flame Dynamics of a Side Wall Quenching Flame
Since nearly 86% of the world wide energy demand is obtained through combustion, it is necessary to improve related ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Lagrangian / Eulerian Interface Approximation (LEIA)
Accurate and efficient tracking of sharp interfaces that separate fluids that do not mix or fluids and solids is a ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
Large Eddy Simulations of Turbulent Combustion Basing on the Eulerian Stochastic Field Method Coupled to Flamelet Progress Variable Approach Using OpenFOAM Code
The present trend in energy consumption shows ever increasing energy demand to servemultitude of reasons such as ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik -
LES of Coal Combustion in the Context of FGM Tabulated Chemistry
The objective to reduce the emission of the greenhouse gas CO2 has a high priority in today’s energy supply. However, in ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik 
Mathematical Modeling and Numerical Analysis of Transfer Processes at Dynamical Contact Lines in Fuid Mechanics
Dynamic wetting phenomena are omnipresent in nature and technology. The legs of the water-strider make use of a ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Metal-Free Dimerization of Terminal Alkynes Catalyzed by a Pyridonate Borane Complex
We have recently reported the synthesis of a pyridonate borane complex that reversibly activates dihydrogen under mild ...
NaturwissenschaftenMolekülchemie-
NIR Excitation and Tunneling of Dihydroxycarbene
While quantum-mechanical tunneling (QMT) was recognized early in the emerging field of quantum theory as an accelerating ...
NaturwissenschaftenMolekülchemie 
Numerical Simulation and Analysis of Wetting Phenomena in Inkjet Printing
Droplet impingement and spreading are of particular relevance for various technical applications, including inkjet ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Simulation and Analysis of Wetting Phenomena in Inkjet Printing
Droplet impingement and spreading are of particular relevance for various technical applications, including inkjet ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
Numerical Simulation of Physiological Pulsuating Flows in Aneurysm Models
In the present investigation, the Lichtenberg supercomputer was used for the numerical simulation of steady and ...
LebenswissenschaftenMedizinNaturwissenschaftenNumerikIngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik -
Selective Organic Reactions Enabled by Isotope-Controlled Tunneling Reactivity
A large kinetic isotope effect (KIE) is one of the criteria that indicates quantum mechanical tunneling in a chemical ...
NaturwissenschaftenMolekülchemie 
Slip Spring DPD Simulations of Flash Nano-Precipitation from Polymer Solutions
A recent and promising method to synthesize nanoparticles of defined size and structure is the so-called flash ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie
Stability of Droplets on Chemically Patterned Surfaces
We study the stability and the breakup dynamics of mm-size water droplets on chemically patterned solid surfaces ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Synthesis and Conformational Analysis of Parent Perhydroazulenes
Perhydroazulenes are common structural motifs in a variety of terpene natural products. Despite of their structural ...
NaturwissenschaftenMolekülchemie-
The Role of Dispersion in Catalysis
London dispersion (LD) interactions constitute the attractive part of the van-der-Waals potential and they have been ...
NaturwissenschaftenMolekülchemie 
TREVAP (Technologien für Revolutionäre Arbeitsprozesse)
The fact that the efficiency of the currently used aircraft engine components is getting really close to its limits, and ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
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 ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie 
Analyzing, Comparing and Evaluating Non-Stationary Methods for Oxy-Fuel Configurations
The separation of CO2 in oxy-coal combustions is facilitated through firing coal in oxygen (O2) enriched recirculated ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
ExaFSA - Exascale Simulation of Fluid-Structure-Acoustics Interactions
The ExaFSA project aims to combine the two dominant trends in engineering simulations: multiphysics and high-performance ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
H-Tunneling in Carbenes
Schreiner’s group was able to synthesize various hydroxy carbenes by thermal extrusion of CO2 from α-keto carboxylic ...
NaturwissenschaftenMolekülchemie-
Mercapto Carbenes − New Precursor Strategies
Schreiner’s group was able to synthesize various hydroxy carbenes by thermal extrusion of CO2 from α-keto carboxylic ...
NaturwissenschaftenMolekülchemie 
Numerical Simulation of Shear Induced Wetting
To optimize functionalities and to increase the safety of industrial applications such as in printing, coating or the ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Simulation of Turbulent Two-Phase Channel Flows
Liquid films, which flowing parallel to a turbulent gas flow, experience shear stresses at the liquid-vapor interface ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Simulation of Flow-Induced Noise and Vibration for Turbulent Flows
The turbulent flow around blunt bodies induces aeroacoustic sources due to the interaction of the fluid with geometrical ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
