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Displaying 241 - 270 of 372
Role of Preferential Cosolvent Adsorption in Cononsolvency
Cononsolvency refers to the effect in which a polymer chain in good solvent collapses when it is mixed with an ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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
Simulation of a Femtosecond Laser Excitation in Antimony
If a femtosecond laser pulses excites matter, the electrons are excited to a high temperature whereas the ions remain ...
NaturwissenschaftenPhysik der kondensierten Materie
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-
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 
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 
Toward a Better Understanding of Dispersion Interactions in Organic Reactions
London Dispersion (LD)[1-3] interactions are noncovalent interactions that hold together nonpolar or weakly polar ...
Natural SciencesMolecular Chemistry
Transverse Momentum Broadening of High-Energy Partons From 3D Lattice EQCD Simulations
Quantum Chromodynamics (QCD) is the theory of the strong nuclear force. Analogously to the theory of the electromagnetic ...
NaturwissenschaftenTeilchen, Kerne und Felder
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 -
Viscoelastic Flow Simulations
The “High Weissenberg Number Problem’’ (HWNP) has been a major challenge in computational rheology for the past four ...
NaturwissenschaftenMathematik 
Ab-Initio Calculation of Fundamental Properties of Strained Heterostructures
Many opto-electronic devices, such as laser diodes, solar cells or semiconductor sensors, comprise of semiconductor ...
NaturwissenschaftenPhysik der kondensierten MaterieOptik, Quantenoptik und Physik der Atome, Moleküle und PlasmenIngenieurwissenschaftenMaterialwissenschaft
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
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 ...
NaturwissenschaftenAtmosphären-, Meeres- und Klimaforschung
DFT Based Modeling of the Optical Properties of Dilute Bismides
For the modern communication and information technology semiconductors with improved optoelectronic properties are ...
NaturwissenschaftenPhysik der kondensierten MaterieOptik, Quantenoptik und Physik der Atome, Moleküle und PlasmenIngenieurwissenschaftenMaterialwissenschaft
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
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
Trimethylamine-N-oxide (TMAO), a molecule known to stabilize proteins in harsh environments in aquatic organisms, has ...
NaturwissenschaftenBiologische Chemie und Lebensmittelchemie-
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 
Multiphoton PECD in the Ionization of Fenchone and Camphor by Short Intense Laser Pulses
Chiral molecules cannot be brought into coincidence with their mirror images. Therefore, a molecule and its mirror image ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
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
Redox Chemistry of Ternary Graphite Intercalation Compounds
Sodium-ion batteries (SIBs) are considered as alternatives to lithium-ion batteries (LIBs), showing a potential in ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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
First-Principles Calculations on Stability of Absorber-Buffer Interface in CIGS-Based Thin Filmsolar Cells
In2S3 as alternative for CdS buffer layer in Cu(In, Ga) (S, Se)2 (CIGS)-base thin film solar cells has gained a lot of ...
Natural SciencesMolecular ChemistryEngineering SciencesMaterials Science
Prediction of the Hydrodynamic Forces in Annular Seals and Journal Bearings for the Validation of an Analytical Pressure Model and Construction of a Test Bench
The rotordynamic design of turbomachinery like feedwater pumps is depending on numerous factors, including mechanical ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
A Generic 3D-Diverse Fragment Library for Crystallographic Screening and Drug Discovery
Ligand binding pockets differ regarding their shape and arrangement of potential interaction sites. Thus, we design a ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Ab-initio Description of p-shell Hypernuclei
Hypernuclei are atomic nuclei that contain other baryons apart from nucleons (protons and neutrons). These other baryons ...
NaturwissenschaftenTeilchen, Kerne und Felder
