Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner–Teller-like Effect for Endofullerenes

por Hauser, Andreas W., Pototschnig, Johann V.
Publicado 2022

Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative

por Meyer, Ralf, Weichselbaum, Manuel, Hauser, Andreas W.
Publicado 2020

Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene

por Fruehwirth, Samuel M., Meyer, Ralf, Hauser, Andreas W.
Publicado 2018

Shifts in the ESR Spectra of Alkali-Metal Atoms (Li, Na, K, Rb) on Helium Nanodroplets

por Hauser, Andreas W, Gruber, Thomas, Filatov, Michael, Ernst, Wolfgang E
Publicado 2013

Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory

por Hauser, Andreas W., Volk, Alexander, Thaler, Philipp, Ernst, Wolfgang E.
Publicado 2015

Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach

por Ratschek, Martin, Pototschnig, Johann V., Hauser, Andreas W., Ernst, Wolfgang E.
Publicado 2014

Rydberg states of alkali atoms on superfluid helium nanodroplets: inside or outside?

por Pototschnig, Johann V., Lackner, Florian, Hauser, Andreas W., Ernst, Wolfgang E.
Publicado 2017

Exploring the Catalytic Properties of Unsupported and TiO(2)-Supported Cu(5) Clusters: CO(2) Decomposition to CO and CO(2) Photoactivation

por López-Caballero, Patricia, Hauser, Andreas W., Pilar de Lara-Castells, María
Publicado 2019

Mixed-metal nanoparticles: phase transitions and diffusion in Au–VO clusters

por Ernst, Wolfgang E., Lasserus, Maximilian, Knez, Daniel, Hofer, Ferdinand, Hauser, Andreas W.
Publicado 2022

A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet

por Castillo-García, Alvaro, Hauser, Andreas W., de Lara-Castells, María Pilar, Villarreal, Pablo
Publicado 2021

Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu(5) Clusters

por Mitrushchenkov, Alexander O., Zanchet, Alexandre, Hauser, Andreas W., de Lara-Castells, María Pilar
Publicado 2021

Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions

por Lasserus, Maximilian, Schnedlitz, Martin, Messner, Roman, Lackner, Florian, Ernst, Wolfgang E., Hauser, Andreas W.
Publicado 2019

On the passivation of iron particles at the nanoscale

por Lasserus, Maximilian, Knez, Daniel, Schnedlitz, Martin, Hauser, Andreas W., Hofer, Ferdinand, Ernst, Wolfgang E.
Publicado 2019

Thermally induced alloying processes in a bimetallic system at the nanoscale: AgAu sub-5 nm core–shell particles studied at atomic resolution

por Lasserus, Maximilian, Schnedlitz, Martin, Knez, Daniel, Messner, Roman, Schiffmann, Alexander, Lackner, Florian, Hauser, Andreas W., Hofer, Ferdinand, Ernst, Wolfgang E.
Publicado 2018

Femtosecond photoexcitation dynamics inside a quantum solvent

por Thaler, Bernhard, Ranftl, Sascha, Heim, Pascal, Cesnik, Stefan, Treiber, Leonhard, Meyer, Ralf, Hauser, Andreas W., Ernst, Wolfgang E., Koch, Markus
Publicado 2018

Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold

por Schnedlitz, Martin, Knez, Daniel, Lasserus, Maximilian, Hofer, Ferdinand, Fernández-Perea, Ricardo, Hauser, Andreas W., Pilar de Lara-Castells, María, Ernst, Wolfgang E.
Publicado 2020

On the Stability of Cu(5) Catalysts in Air Using Multireference Perturbation Theory

por Zanchet, Alexandre, López-Caballero, Patricia, Mitrushchenkov, Alexander O., Buceta, David, López-Quintela, Manuel Arturo, Hauser, Andreas W., Pilar de Lara-Castells, María
Publicado 2019

Increasing the optical response of TiO(2) and extending it into the visible region through surface activation with highly stable Cu(5) clusters

por Pilar de Lara-Castells, María, Hauser, Andreas W., Ramallo-López, José M., Buceta, David, Giovanetti, Lisandro J., López-Quintela, M. Arturo, Requejo, Félix G.
Publicado 2019

Effects of the Core Location on the Structural Stability of Ni–Au Core–Shell Nanoparticles

por Schnedlitz, Martin, Fernandez-Perea, Ricardo, Knez, Daniel, Lasserus, Maximilian, Schiffmann, Alexander, Hofer, Ferdinand, Hauser, Andreas W., de Lara-Castells, Maria Pilar, Ernst, Wolfgang E.
Publicado 2019