65 Titel in Universität Innsbruck Forschungsschwerpunkte, Forschungsplattformen und Verwaltungseinheiten FSP Scientific Computing
Proton transfer reactions from N2H+ and ArH+ to small molecules
In: Israel journal of chemistry, 63 (2023), 7-8, Artikel-ID e202300064, Seite 1-12Wiley, 2023Rearrangement and decomposition pathways of bare and hydrogenated molybdenum oxysulfides in the gas phase
In: Physical chemistry chemical physics, 24 (2022), 27, Seite 16576-16585RSC Publishing, 2022Release of formic acid from copper formate: hydride, proton coupled electron and hydrogen atom transfer all play their role
In: ChemPhysChem, 20 (2019), 11, S. 1420-1424Weinheim : Wiley-VCH, 2019Scrutinizing FR 0 radio galaxies as ultra-high-energy cosmic ray source candidates
In: Astroparticle physics, 128 (2021), Artikel-ID 102564, Seite 1-22Elsevier, 2021Semi-Lagrangian 4d, 5d, and 6d kinetic plasma simulation on large-scale GPU-equipped supercomputers
In: The international journal of high performance computing applications, 37 (2023), 2, Seite 180-196Sage Publications, 2023Shape and interfacial structure of droplets. Exact results and simulations
In: Journal of statistical mechanics: theory and experiment, (2023), January 2023 Artikel-ID 013206, Seite 1-18IOP Publishing, 2023Simplified multiple-well approach for the master equation modeling of blackbody infrared radiative dissocation of hydrated carbonate radical anions
In: Journal of the American Chemical Society, 144 (2022), 47, Seite 21485-21493ACS Publishing, 2022Size-dependent H and H2 formation by infrared multiple photon dissociation spectroscopy of hydrated vanadium cations, V+(H2O)n, n = 3-51
In: Physical chemistry chemical physics, 24 (2022), 24, Seite 14699-14708Cambridge : RSC Publishing, 2022Sputtering and reflection from a beryllium surface: effects of hydrogen isotope mass, impact position and surface binding energy
In: Nuclear fusion, 62 (2022), 6 Artikel-ID 066024, Seite 1-7IOP Publishing, 2022Sputtering of the beryllium tungsten alloy Be2W by deuterium atoms: molecular dynamics simulations using machine learned forces
In: Nuclear fusion, 61 (2021), 1 Artikel-ID 016031, Seite 1-8IOP Publishing, 2021Structural mechanism of Fab domain dissociation as a measure of interface stability
In: Journal of computer-aided molecular design, 37 (2023), Seite 201-215Springer, 2023Supramolecular organization of nonstoichiometric drug hydrates: dapsone
In: Frontiers in chemistry, 6 (2018), Artikel-ID 31, Seite 1-17Frontiers Research Foundation, 2018Surface induced phenytoin polymorph. 1. Full structure solution by combining grazing incidence X-ray diffraction and crystal structure prediction
In: Crystal growth & design, 19 (2019), 11, Seite 6067-6073ACS Publications, 2019Surface induced phenytoin polymorph. 2. Structure validation by comparing experimental and density functional theory raman spectra
In: Crystal growth & design, 19 (2019), 11, Seite 6067-6073ACS Publications, 2019Surface or internal hydration - does it really matter?
In: Journal of the American Society for Mass Spectrometry, 3 (2023), 34, Seite 337-354ACS Publications, 2023The critical state behaviour of barodesy compared with the Matsuoka-Nakai failure criterion
In: International Journal for Numerical and Analytical Methods in Geomechanics, 37 (2013), S. 299-308Hoboken (New York) [u.a.] : Wiley & Sons, 2013The trimorphism of 3-hydroxybenzoic acid: an experimental and computational study
In: CrystEngComm, 23 (2021), 13, Seite 2513-2519RSC Publishing, 2021Theoretical simulation of the infrared signature of mechanically stressed polymer solids
In: Beilstein Journal of Organic Chemistry, 13 (2017), S. 1710-1716Frankfurt am Main : Beilstein - Institut zur Foerderung der Chemischen Wissenschaften, 2017Thermally activated vs. photochemical hydrogen evolution reactions - a tale of three metals
Dedicated to Professor Dr. Wolfgang Domcke on the occasion of his 75th birthdayIn: Chemistry - a European journal, 29 (2023), 26 Artikel-ID e202203590, Seite 1-16Wiley, 2023Total syntheses of (+)-waixenicin A, (+)-9-deacetoxy-14,15-deepoxyxeniculin, and (−)-xeniafaraunol A
In: Journal of the American Chemical Society, 145 (2023), 21, Seite 11811-11817ACS Publications, 2023