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Papers
12. |
G. Gebreyesus, L. Bastonero, M. Kotiuga, N. Marzari and I. Timrov
Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO3
Physical Review B 108, 235171 (2023)
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arXiv
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11. |
S. Kumar, B. Demir, A. Dellwisch, L. Colombi Ciacchi, T. Neudecker
Multiscale mechanochemical modeling of spiropyran-merocyanine isomerization in linear PMMA polymers
Macromolecules 56, 8438-8447 (2023)
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ChemRxiv
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10. |
J. Berges, N. Girotto, T. Wehling, N. Marzari, and S. Poncé
Phonon self-energy corrections: to screen, or not to screen
Physical Review X 13, 041009 (2023)
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9. |
U.-C. Fletemeyer, W. Dononelli, C. Müller-Bork, J. Stelten and F.-P. Montforts
Synthesis of donor substituted chlorophyll derivatives for application in dye sensitized solar cells
European Journal of Organic Chemistry 26, e202300816 (2023)
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8. |
M. Michaelis, L. Cupellini, C. Mensch, C.C. Perry, M. Delle Piane, L. Colombi Ciacchi
Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints
Chemical Science 14, 8483-8496 (2023)
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ChemRxiv
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7. |
H.A. Schmid-Beurmann, W.-A. Kahl, W. Bach, M. Ivarsson, M.E. Böttcher, J. Peckmann
Dispersal of endolithic microorganisms in vesicular volcanic rock: Distribution, settlement and pathways revealed by 3D X-ray microscopy
Terra Nova 00, 1-8 (2023)
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6. |
M. Sommer, W.-A. Kahl, R. Fechte-Heinen, S. Hoja
Microscopic Characterization of Compound Layers
Practical Metallography 60, 212-241 (2023)
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5. |
K.C. Adamsen, N. Petrik, W. Dononelli, G. Kimmel, T. Xu, Z. Li, L. Lammich, B. Hammer, J.V. Lauritsen, S. Wendt
Origin of hydroxyl pair formation on reduced anatase TiO2(101)
Physical Chemistry Chemical Physics 25, 13645-13653 (2023)
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4. |
G. Wittstock, M. Baeumer, W. Dononelli, T. Klüner, L. Lührs, C. Mahr, L.V. Moskaleva, M. Oezaslan, T. Risse, A. Rosenauer, A. Staubitz, J. Weissmüller, A. Wittstock
Nanoporous gold: from structure evolution to functional properties in catalysis and electrochemistry
Chemical Reviews 123, 6716-6792 (2023)
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3. |
M. Kløve, S. Sommer, B.B. Iversen, B. Hammer, W. Dononelli
Machine learning based approach for solving atomic structures of nanomaterials combining pair distribution functions with density functional theory
Advanced Materials 35, 2208220 (2023)
(Frontispiece)
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arXiv
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2. |
A. Avdoshin, V. Naumov, L. Colombi Ciacchi, S. Ignatov, S. Köppen
Atomistic simulations of chitosan as possible carrier system for miRNA transport
Materials Advances 4, 1113-1124 (2023)
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1. |
M. Wolpmann, M. Etter, A. Kirsch, F. Balzaretti, W. Dononelli, L. Robben, T.M. Gesing
Halide-sodalites: thermal behavior at low temperatures and local deviations from the average structure
Zeitschrift für Kristallographie - Crystalline Materials 238, 27-38 (2023)
(Front Cover)
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Other articles
3. |
F. Theis, P. Götz, S. Vöhringer
Zur Sonderausstellung "Seh-Stücke - Maritimes digital entdeckt" des Projekts "Digital Materialities"
Deutsche Schiffahrt 2, 22-25 (2023)
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2. |
W. Dononelli
Das Experiment direkt in die quantenchemische Modellierung einbeziehen
Bunsen Magazine 6, 204-207 (2023)
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1. |
J. Berges
Toward a Complete Theory of Crystal Vibrations (Viewpoint)
Physics 16, 151 (2023)
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