R
Roland Mitrić
Researcher at University of Würzburg
Publications - 203
Citations - 5634
Roland Mitrić is an academic researcher from University of Würzburg. The author has contributed to research in topics: Excited state & Surface hopping. The author has an hindex of 40, co-authored 191 publications receiving 5109 citations. Previous affiliations of Roland Mitrić include Fritz Haber Institute of the Max Planck Society & Academy of Sciences of the Czech Republic.
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Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters
Vlasta Bonačić-Koutecký,Jaroslav V. Burda,Roland Mitrić,Maofa Ge,Giuseppe Zampella,Piercarlo Fantucci +5 more
TL;DR: In this article, the authors have determined structures, ionization potentials, and vertical detachment energies for neutral and charged bimetallic AgmAun[3⩽(m+n)5] clusters.
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Reactivity of atomic gold anions toward oxygen and the oxidation of CO: experiment and theory.
TL;DR: Results for the binding of carbon monoxide and oxygen along with the oxidation of CO in the presence of atomic Au(-) have been obtained utilizing a fast-flow reactor mass spectrometer and density functional calculations have been performed to explain the experimental findings.
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Ab initio study of the absorption spectra of Agn (n=5–8) clusters
TL;DR: In this paper, the absorption spectra of Ag5-8 have been determined in the framework of the linear response equation-of-motion coupled cluster method and related techniques employing 11-electron relativistic effective core potential.
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Theoretical and experimental consideration of the reactions between VxOy+ and ethylene
TL;DR: Investigation of reactions involving gas-phase cationic vanadium oxide clusters with small hydrocarbons is suitable for the identification of reactive centers responsible for selectivity in heterogeneous catalysis.
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Clusters as model systems for investigating nanoscale oxidation catalysis
TL;DR: In this paper, the role of different types of oxygen centers in catalytic oxidation reactions was investigated using gas-phase cluster reactivity experiments, combined with theoretical calculations, provided insight into how factors such as size, stoichiometry and charging effects influence reactions promoted by metal and metal oxide catalysts.