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Displaying 31 - 60 of 75
Functionalization of Hydrocarbons Trough Novel HAT-Agents
Alkanes are attractive feedstock chemicals due to their natural occurrence and they offer access to a wide variety of ...
NaturwissenschaftenMolekülchemie-
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 ...
NaturwissenschaftenMolekülchemie 
Ground- and Excited-State Properties of Substrate-Supported Nanowires Calculated From First Principles
Ideal one-dimensional electronic systems are characterized by unusual and fascinating physical phenomena, including ...
NaturwissenschaftenPhysik der kondensierten Materie-
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 
Investigation of Vacancy Diffusion in Crystalline LIPON Compounds by Means of Density Functional Theory
Due to an ever-increasing energy demand worldwide, new and efficient energy storage systems are needed more and more ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Modelling of Nanoparticle Generation due to a Short Laser Pulse and Nanoparticle Ablation in Different Media
This work is a successor of our previous study [1], were the mechanism of periodic nanostructuring process due to UV ...
NaturwissenschaftenPhysik der kondensierten Materie-
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 -
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
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 -
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 
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 
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
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 von Kohlenstoffnanoröhrchen
Kohlenstoffnanoröhren (englisch: carbon nanotubes, CNTs) besitzen eine Vielzahl interessanter mechanischer Eigenschaften ...
IngenieurwissenschaftenWerkstofftechnik-
Ab-initio-Untersuchung von Zinnoxiden
Zinnoxide mit verschiedenen Zusammensetzungen: Auf dem Weg zum elektronischen Bauelement Zinn ist ein ungiftiges ...
NaturwissenschaftenTeilchen, Kerne und Felder -
Advanced Electro-Optical Modeling of III-Nitride Light Emitters
As part of the research group POLARCON, we intend to study the active region carrier dynamics in III-nitride light ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen 
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 ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen-
Control of London Dispersion Forces in molecular chemistry
Introduction: Since attractive forces in molecular chemistry are often neglected in molecular chemistry we want to ...
NaturwissenschaftenMolekülchemie 
Direct Photons from Partonic and Hadronic Sources
Our ultimate goal is to understand the dynamical properties of the partonic phase with quarks, antiquarks and gluons as ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
Effektives Potential für ultrakurzpulslaser angeregtes Silizium
Silizium ist eines der wichtigsten Elemente in der modernen Halbleitertechnik und daher unverzichtbar in der Computer- ...
NaturwissenschaftenPhysikalische und Theoretische ChemieOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
Electronic Pairing in Low-Dimensional Systems from Lattice Density-Functional Theory
The properties of strongly interacting electrons subject to local pairing interactions have been investigated ...
NaturwissenschaftenPhysik der kondensierten Materie
Evolution of Partonic and Hadronic Matter in Relativistic Heavy-Ion Collisions
The Parton Hadron String Dynamics (PHSD) transport approach has been used to study the evolution of hadronic and ...
NaturwissenschaftenTeilchen, Kerne und Felder
Highly-Excited Valence Electron Systems
The application of ultrashort laser pulses in the field of materials processing is promising, because it provides a ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und PlasmenTeilchen, Kerne und Felder
Influence of Magnetic Material on Tunnel Magnetoresistance and Spin-Transfer Torque in MgO-based Tunnel Junctions
Some Heusler alloys, for example intermetallic compounds of the stoichiometric composition X2YZ with L21 structure,[1] ...
NaturwissenschaftenPhysikalische und Theoretische ChemieOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
