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31 |
Rare-earth atoms on two-dimensional materials: $ab$ $initio$ investigation of magnetic properties
Carbone, Johanna Paulina. - Aachen : Universitätsbibliothek der RWTH Aachen, 2024
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32 |
Relative and systematic methods in computational alchemy
Krug, Simon León. - Berlin : Technische Universität Berlin, 2024
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33 |
Theoretical studies of metal-metal cooperativity in pyrazolate-bridged complexes
Römer, Anton. - Göttingen : Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2024
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34 |
Theoretical Studies of Nuclear Magnetic Resonance Chemical Shifts
Kleine Büning, Julius Benedikt. - Bonn : Universitäts- und Landesbibliothek Bonn, 2024
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35 |
Theory and simulation of ultrafast autodetachment dynamics and nonradiative relaxation in molecules
Issler, Kevin. - Würzburg : Universität Würzburg, 2024
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36 |
Thermodynamic and optical properties of designed nanoparticles studied with density functional theory
Beqiraj, Alkit. - Potsdam : Universität Potsdam, 2024
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37 |
Unbiased Angular Overlap Model parameters from ab initio calculations
Buchhorn, Moritz. - Darmstadt : Universitäts- und Landesbibliothek, 2024
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38 |
X-ray Absorption Spectra of kesterite-based Materials studied from First Principles
Manoharan, Archana. - Berlin : Humboldt-Universität zu Berlin, 2024
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39 |
4,4'-bis(carbazol-9-yl)biphenyl (CBP): beyond the single molecule picture using ab-initio methods
Cortés-Mejía, Rodrigo. - Karlsruhe : KIT-Bibliothek, 2023
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40 |
A Fragment-Based Construction of a Neural Network Potential for Metal-Organic Frameworks
Herbold, Marius. - Göttingen : Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2023
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