A5041691398- Advanced Chemical Physics Studies
- Atomic and Molecular Physics
- Mass Spectrometry Techniques and Applications
- Quantum, superfluid, helium dynamics
- Molecular Spectroscopy and Structure
- Astrophysics and Star Formation Studies
- Educational Games and Gamification
- Electron and X-Ray Spectroscopy Techniques
- Atmospheric Ozone and Climate
- Graphene research and applications
- Fusion materials and technologies
- Cold Atom Physics and Bose-Einstein Condensates
- Atomic and Subatomic Physics Research
- Spectroscopy and Quantum Chemical Studies
- Muon and positron interactions and applications
- Photochemistry and Electron Transfer Studies
- Nuclear Materials and Properties
- Ion-surface interactions and analysis
- Neural dynamics and brain function
- Ammonia Synthesis and Nitrogen Reduction
- DNA and Nucleic Acid Chemistry
- X-ray Spectroscopy and Fluorescence Analysis
- Carbon Nanotubes in Composites
- Hydrogen Storage and Materials
- Boron and Carbon Nanomaterials Research
University of Graz
2023-2024
Universität Innsbruck
2014-2023
Bartenbach - The Lighting Innovators (Austria)
2019
Institute for Basic Science
2018
RWTH Aachen University
2016
Technical University of Munich
2015
European Organization for Nuclear Research
2014
Uppsala University
2014
The provision of a particle and power exhaust solution which is compatible with first-wall components edge-plasma conditions key area present-day fusion research mandatory for successful operation ITER DEMO. work package plasma-facing (WP PFC) within the European programme complements laboratory experiments, i.e. in linear plasma devices, electron ion beam loading facilities, studies performed toroidally confined magnetic such as JET, ASDEX Upgrade, WEST etc. connection both groups done via...
Abstract This perspective piece explores the transformative potential and associated challenges of large language models (LLMs) in education how those might be addressed utilizing playful game-based learning. While providing many opportunities, stochastic elements incorporated present LLMs process text, requires domain expertise for a critical evaluation responsible use generated output. Yet, due to their low opportunity cost, may pose some risk over-reliance, potentially unintendedly...
This article provides a comprehensive review of current practices and methodologies within the field learning analytics, structured around dedicated closed-loop framework. framework effectively integrates various aspects analytics into cohesive framework, emphasizing interplay between data collection, processing analysis, as well adaptivity personalization, all connected by learners involved underpinned educational psychological theory. In reviewing each step closed loop, delves advancements...
A growing body of literature suggests that adding game elements to learning tasks indirectly influences the process by increasing engagement with tasks. The present study aims advance research examining an often neglected subcomponent behavioral engagement, attrition. Implementing two equivalent versions a task, differing solely in presence elements, allowed unequivocal attribution any effect on elements. Conducting online environment further highly unconstrained examination effects We found...
Molecular dynamics simulations of liquid ethylene glycol described by the OPLS-AA force field were performed to gain insight into its hydrogen-bond structure. We use population correlation function as a statistical measure for lifetime. In an attempt understand complicated hydrogen-bonding, we developed new molecular visualization tools within Vish Visualization shell and used it visualize life each individual hydrogen-bond. With this tool formation breaking well clustering chain in...
Helium droplets provide the possibility to study phenomena at very low temperatures which quantum mechanical effects are more pronounced and fewer states have significant occupation probabilities. Understanding migration of either positive or negative charges in liquid helium is essential comprehend charge-induced processes molecular systems embedded droplets. Here, we report resonant formation excited metastable atomic anions superfluid upon electron impact. Although anion heliophobic...
Selecting an appropriate statistical method is a challenge frequently encountered by applied researchers, especially if assumptions for classical, parametric approaches are violated. To provide some guidelines and support, we compared classical hypothesis tests with their typical distributional of normality homoskedasticity common easily accessible alternative inference methods (HC3, HC4, six bootstrap methods) in the framework ordinary least squares (OLS) regression. The method’s...
We have developed an efficient scheme for the generation of accurate repulsive potentials self-consistent charge density-functional-based tight-binding calculations, which involves energy-volume scans bulk polymorphs with different coordination numbers. The was used to generate optimized parameter set various ZnO polymorphs. new potential subsequently tested bulk, surface, and nanowire systems as well water adsorption on low-index wurtzite (101̅0) (112̅0) surfaces. By comparison results...
We report calculations of total (and absolute) electron-impact ionization cross sections (EICSs) for the fusion-relevant diatomic molecular species BeH, BeN, BeO, WH, WBe, WN, WO, O2, and N2 by means Deutsch-Märk binary-encounter-Bethe methods in energy range from threshold to 10 keV. In addition, we discuss an empirical scheme estimate partial ones based on reaction energetics laws explore its accuracy assessing available experimental data EICSs. Finally, also parameters obtained fitting...
Low-energy electrons effectively decompose the isomers 2-nitroimidazole and 4(5)-nitroimidazole by dissociative electron attachment (DEA) into a variety of fragment anions radicals. The present study shows that distinct selectivity for two occurs in DEA reactions. Several new decay channels are observed 2-nitroimidazole, including dominant one leading to loss molecular H2 O low-energy electron. In contrast, single hydrogen atom is much more efficient reaction 4(5)-nitroimidazole. Quantum...
Previous studies could elaborate a link between attentional processes and eye blinking in both visual auditory attention tasks. Here we show that this is active at fundamental level of perception: presentation series bare sine tones sufficient to induce modulation temporal blink patterns, allowing determine which was presented participants even when they are not required interactively engage processing the input. In particular, monitored during an task using two tones, differing...
Abstract The formation of dianions in helium nanodroplets is reported for the first time. fullerene cluster (C 60 ) n 2− and 70 were observed by mass spectrometry ≥5 when droplets containing appropriate subjected to electron impact at approximately 22 eV. A new mechanism dianion described, which involves a two‐electron transfer from metastable He − ion. As well as prospect studying other low temperature using nanodroplets, this work opens up possibility wider investigation chemistry ,...
Determining the multi-reference character of a molecular system and its impact on limits within which properties may be calculated accurately by different quantum chemical methods remains difficult yet important task in computational chemistry. Especially, transition metal compounds continue to frequently provide challenge chemists this regard. In work, we construct, analyze, evaluate protocols determine their bond dissociation energies using set reference data for 60 diatomic molecules. We...
The mechanism of a hydrogen loss reaction upon dissociative electron attachment to organic acids and amino has been matter controversy. In this study, we investigate process for three isomers aminobutanoic acid the deuterated analogue α isomer (αAD) in energy range 0–2.5 eV. We implement resonant R-matrix theory, applying one-dimensional model involving capture into σ*(OH) orbital which reproduces convincingly conspicuous features experimental cross sections, i.e. pronounced cusps at...
AbstractProperties of ground state , and excited (metastable) are calculated using the coupled-cluster method basis sets multiply augmented with diffuse functions. The aim this work is to capture essential physics needed describe qualitatively different behaviour above mentioned helium species dissolved in liquid helium. By studying their interaction atomic it found that He, He+, He2+ He*− well bound within a droplet. In comparison He*, He2* He2*− be squeezed out due high energetic cost...
Fullerenes (and clusters composed of them) yield a variety promising structural, electronic, magnetic and chemical properties, governed by their specific electronic geometric configuration. These systems have attracted many theoretical experimental endeavors in order to describe, explain predict features. The conclusive description some properties has remained challenge though, such as sound physicochemical the stability multiply charged fullerene clusters, which we explore here. We show how...
We calculate harmonic frequencies of the three most abundant carbonic acid conformers. For this, different model chemistries are investigated with respect to their benefits and shortcomings. Based on these results we use perturbation theory anharmonic corrections at ωB97XD/aug-cc-pVXZ, X = D, T, Q, level compare them recent experimental data theoretical predictions. A discrete variable representation method is used predict large contributions stretching vibrations in hydrogen bonds dimer....
In the interstellar medium (ISM) ion–molecule reactions play a key role in forming complex molecules. Since 2006, after radioastronomical discovery of first by now six anions, interest has grown understanding formation and destruction pathways negative ions ISM. Experiments have focused on photodetachment identified negatively charged ions. Hints were found that CnH(–) with H2 may proceed low (<10(–13) cm(3) s(–1)), but finite rate [Eichelberger, B.; et al. Astrophys. J. 2007, 667, 1283]....
The thermal stabilization of thin gold nanowires with a diameter about 2 nm by surfactants is investigated means classical molecular dynamics simulations. While the well-known melting point depression leads to much lower compared bulk gold, coating can reverse this, given that attractive interaction between surfactant molecules and atoms lies beyond certain threshold. It found process coated dominated surface instability patterns, whereas behaviour in vacuum greater mobility coordination...
A detailed study on dissociative electron attachment (DEA) to β-alanine (βA) in the gas phase is presented. Ion yields as a function of incident energy from about 0 15 eV have been measured for most fragments. As all α-amino acids, main reaction corresponds loss hydrogen atom, although many other fragments observed that involved more complex bond cleavages. Threshold energies calculated by using G4(MP2) method various decomposition reactions. Fragmentation pathways were also investigated...
Metastable atomic and molecular helium anions exhibiting high-spin quartet configurations can be produced in droplets via electron impact. Their lifetimes allow detection mass spectrometric experiments. Formation of comprises collision-induced excitation ground state concomitant capture. Yet the formation has been an unresolved issue. In this work, we explore interaction excited atoms triplet with using equation-of-motion coupled-cluster method. Transition barriers energetically lowest...
Gas phase dissociative electron attachment (DEA) measurements with methyl-dialanine, C7H14N2O3, are performed in a crossed electron-molecular beam experiment at high energy resolution (∼120 meV). Anion efficiency yields as function of the incident obtained for most abundant fragments up to energies ∼15 eV. There is no evidence molecular anion formation whereas dehydrogenated closed shell (M–H)− one dominant reaction products. Quantum chemical calculations investigate process and elucidate...
Earlier studies repeatedly showed increased learner motivation due to game elements, while overall cognitive effects on learning outcomes were absent. One possible explanation for this discrepancy is provided by theories integrating and affective processes: the beneficial effect eventually balancing simultaneously higher processing demands associated with elements. In paper, we provide results of an empirical test theoretical suggestion. particular, report a value-added online experiment...