Masterarbeit (2018)
unter Betreuung von PD Dr. Dirk Andrae, FU Berlin
Theoretical Study of (Ne,Ar)NiFn, n=1-3,and their Monocations
Dissertation (seit Februar 2019)
unter Betreuung von Dr. S. Stopkowicz
Coupled-Cluster-Methoden zur Untersuchung der Chemie auf magnetischen Weißen Zwergen
Veröffentlichungen
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- Accurate ab initio investigation of the ground and some low-lying electronic states of boron monoiodide, BI, and its ions BI+ and BI−
M.-P. Kitsaras and A. Papakondylis
Chem. Phys. Lett., 692, 367-373 (2018)
- Accurate ab initio investigation of the ground and some low-lying electronic states of boron monoiodide, BI, and its ions BI+ and BI−
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- Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides
Sebastian Hasenstab-Riedel, Lin Li, Ahmed K. Sakr, Tobias Schlöder, Siri Klein, Helmut Beckers, Marios-Petros Kitsaras, Howard V. Snelling, Nigel A. Young, Dirk Andrae
Angew. Chem. Int. Ed. 2021, 60, 6391-6394 (2020)
- Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides
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- Spin contamination in MP2 and CC2, a surprising issue
Marios-Petros Kitsaras and Stella Stopkowicz
J. Chem. Phys. 154, 131101 (2021)
- Spin contamination in MP2 and CC2, a surprising issue