Publications



2020


Minimax isometry method: A compressive sensing approach for Matsubara summation in many-body perturbation theory. / Kaltak, Merzuk (Corresponding author); Kresse, Georg.
In: Physical Review B, Vol. 101, No. 20, 205145, 26.05.2020.

Publications: Contribution to journalArticlePeer Reviewed


Stretchable Polymerized High Internal Phase Emulsion Separators for High Performance Soft Batteries. / Danninger, Doris; Hartmann, Florian; Paschinger, Werner et al.
In: Advanced energy materials, Vol. 10, No. 19, 2000467, 19.05.2020.

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Porosity at Different Structural Levels in Human and Yak Belly Hair and Its Effect on Hair Dyeing. / Müllner, Alexander R.M.; Pahl, Ruben; Brandhuber, Doris et al.
In: Molecules, Vol. 25, No. 9, 2143, 03.05.2020.

Publications: Contribution to journalArticlePeer Reviewed


Electron-phonon interactions using the projector augmented-wave method and Wannier functions. / Engel, Manuel (Corresponding author); Marsman, Martijn; Franchini, Cesare et al.
In: Physical Review B, Vol. 101, No. 18, 184302, 01.05.2020.

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Measuring FORCs diagrams in computer simulations as a mean to gain microscopic insight. / Dobroserdova, A. B. (Corresponding author); Sánchez, P. A.; Shapochkin, V. E. et al.
In: Journal of Magnetism and Magnetic Materials, Vol. 501, 166393, 01.05.2020.

Publications: Contribution to journalArticlePeer Reviewed


Biological evaluation of novel thiomaltol-based organometallic complexes as topoisomerase IIα inhibitors. / Legina, Maria S.; Nogueira, Juan J.; Kandioller, Wolfgang et al.
In: Journal of Biological Inorganic Chemistry, Vol. 25, No. 3, 05.2020, p. 451-465.

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Self-assembly of charged colloidal cubes. / Rosenberg, Margaret (Corresponding author); Dekker, Frans; Donaldson, Joe G. et al.
In: Soft Matter, Vol. 16, No. 18, 05.2020, p. 4451-4461.

Publications: Contribution to journalArticlePeer Reviewed


A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution. / Dorn, Matthias; Kalmbach, Jens; Boden, Pit et al.
In: Journal of the American Chemical Society, Vol. 142, No. 17, 29.04.2020, p. 7947-7955.

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The generic unfolding of a biomimetic polymer during force spectroscopy. / Chaimovich, Aviel (Corresponding author); Leitold, Christian; Dellago, Christoph (Corresponding author).
In: Soft Matter, Vol. 16, No. 16, 28.04.2020, p. 3941-3951.

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Comparative ab initio study of the structural, electronic, magnetic, and dynamical properties of LiOsO3 and NaOsO3. / Liu, Peitao (Corresponding author); He, Jiangang; Kim, Bongjae et al.
In: Physical Review Materials, Vol. 4, No. 4, 045001, 15.04.2020.

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Diffusion of single active-dipolar cubes in applied fields. / Kaiser, Martin (Corresponding author); Martinez, Yeimy; Schmidt, Annette M. et al.
In: Journal of Molecular Liquids, Vol. 304, 112688, 15.04.2020.

Publications: Contribution to journalArticlePeer Reviewed


Reversible changes in the electronic structure of carbon nanotube-hybrids upon NO2 exposure under ambient conditions. / Fedi, Filippo; Domanov, Oleg; Shiozawa, Hidetsugu et al.
In: Journal of Materials Chemistry A, Vol. 8, No. 19, 15.04.2020, p. 9753-9759.

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Plane wave basis set correction methods for RPA correlation energies. / Riemelmoser, Stefan (Corresponding author); Kaltak, Merzuk; Kresse, Georg.
In: Journal of Chemical Physics, Vol. 152, No. 13, 134103, 07.04.2020.

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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. / Lischka, Hans (Corresponding author); Shepard, Ron (Corresponding author); Mueller, Thomas et al.
In: Journal of Chemical Physics, Vol. 152, No. 13, 134110, 07.04.2020.

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Electrochemical and Photophysical Properties of Ruthenium(II) Complexes Equipped with Sulfurated Bipyridine Ligands. / Hua, Shao-An; Cattaneo, Mauricio; Oelschlegel, Manuel et al.
In: Inorganic Chemistry, Vol. 59, No. 7, 06.04.2020, p. 4972-4984.

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Surface properties of chitin-glucan nanopapers from Agaricus bisporus. / Nawawi, Wan Mohd Fazli Wan; Lee, Koon-Yang; Kontturi, Eero et al.
In: International Journal of Biological Macromolecules, Vol. 148, 01.04.2020, p. 677-687.

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Unknotting of quasi-two-dimensional ferrogranular networks by in-plane homogeneous magnetic fields. / Sanchez, Pedro A. (Corresponding author); Miller, Justus; Kantorovich, Sofia S. et al.
In: Journal of Magnetism and Magnetic Materials, Vol. 499, 166182, 01.04.2020.

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High porosity cellulose nanopapers as reinforcement in multi-layer epoxy laminates. / Mautner, Andreas (Corresponding author); Nawawi, Wan M. F. W.; Lee, Koon-Yang et al.
In: Composites Part A: Applied Science and Manufacturing, Vol. 131, 105779, 04.2020.

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Kagome metal-organic frameworks as a platform for strongly correlated electrons. / Fuchs, Marius; Liu, Peitao; Schwemmer, Tilman et al.
In: Journal of Physics: Materials, Vol. 3, No. 2, 025001, 04.2020.

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