about
Optical spectroscopy of potassium-doped argon clusters. Experiments and quantum-chemistry calculations.Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part I. Vibronic spectra simulations based on ab initio calculations.High-spin alkali trimers on helium nanodroplets: spectral separation and analysis.Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action.Helium nanodroplets doped with xenon and rubidium atoms: a case study of van der Waals interactions between heliophilic and heliophobic dopants.Shifts in the ESR spectra of alkali-metal atoms (Li, Na, K, Rb) on helium nanodroplets.Solvation and spectral line shifts of chromium atoms in helium droplets based on a density functional theory approach.Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes.Functionalized graphene as a gatekeeper for chiral molecules: an alternative concept for chiral separation.Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet.Rydberg states of alkali atoms on superfluid helium nanodroplets: inside or outside?Thermally induced breakup of metallic nanowires: experiment and theory.Thermally induced alloying processes in a bimetallic system at the nanoscale: AgAu sub-5 nm core-shell particles studied at atomic resolution.Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing.Nanoporous Graphene Membranes for Efficient 3He/4He SeparationFemtosecond photoexcitation dynamics inside a quantum solventChiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous GrapheneAdvances in molecular quantum chemistry contained in the Q-Chem 4 program packageA Jahn–Teller analysis of K3 and Rb3 in the electronic states 12E′ and 12E″On the doublet states of the potassium trimerA coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticlesEthane and propane dehydrogenation over PtIr/Mg(Al)OQuantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon NanotubesIncreasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clustersVanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditionsStability of Core–Shell Nanoparticles for Catalysis at Elevated Temperatures: Structural Inversion in the Ni–Au System Observed at Atomic ResolutionThermal instabilities and Rayleigh breakup of ultrathin silver nanowires grown in helium nanodropletsAn ab initio study of the CrHe diatomic molecule: the effect of van der Waals distortion on a highly magnetic multi-electron systemHelium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope SeparationMethane-selective nanoporous graphene membranes for gas purificationThe Jahn-Teller effect and spin-orbit coupling in alkali trimers: Spectroscopic experiments and ab initio calculationsHomo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part II. Femtosecond spectroscopy and spectra assignmentsRelativistic Jahn–Teller effects in the quartet states of K3 and Rb3: A vibronic analysis of the 2 E4′←1 A42′ electronic transitions based onab initiocalculationsLevel-Structure and Magnetic Properties from One-Electron Atoms to Clusters with Delocalized Electronic Orbitals: Shell Models for Alkali TrimersExtended Hartree-Fock method based on pair density functional theoryHeteronuclear and Homonuclear High-Spin Alkali Trimers on Helium NanodropletsGeometry optimization using Gaussian process regression in internal coordinate systemsSynthesis of nanosized vanadium(v) oxide clusters below 10 nmMachine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band CalculationsExploring the Catalytic Properties of Unsupported and TiO2-Supported Cu5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation
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description
hulumtues
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onderzoeker
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researcher
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հետազոտող
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name
Andreas W Hauser
@ast
Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
@nl
Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
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prefLabel
Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
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Andreas W Hauser
@nl
Andreas W Hauser
@sl
P106
P21
P31
P496
0000-0001-6918-3106