Publications 2020


Transformation and Evaporation of Surface Adsorbents on a Graphene "Hot Plate". / Choi, Jun Hee; Shin, Dong Hoon; Inani, Heena et al.

In: ACS Applied Materials and Interfaces, Vol. 12, No. 23, 10.06.2020, p. 26313-26319.

Publications: Contribution to journalArticlepeer-review


Implementation of Coherent Switching with Decay of Mixing into the SHARC Program. / Shu, Yinan; Zhang, Linyao; Mai, Sebastian et al.

In: Journal of Chemical Theory and Computation, Vol. 16, No. 6, 09.06.2020, p. 3464-3475.

Publications: Contribution to journalArticlepeer-review


SrRuO3-SrTiO3 heterostructure as a possible platform for studying unconventional superconductivity in Sr2RuO4. / Kim, Bongjae (Corresponding author); Khmelevskyi, Sergii; Franchini, Cesare et al.

In: Physical Review B, Vol. 101, No. 22, 220502, 08.06.2020.

Publications: Contribution to journalArticlepeer-review


Tunable relativistic quasiparticle electronic and excitonic behavior of the FAPb(I1-xBrx)3 alloy. / Muhammad, Zeeshan; Liu, Peitao; Ahmad, Rashid et al.

In: Physical Chemistry Chemical Physics, Vol. 22, No. 21, 07.06.2020, p. 11943-11955.

Publications: Contribution to journalArticlepeer-review


CASPT2 Potential Energy Curves for NO Dissociation in a Ruthenium Nitrosyl Complex. / Talotta, Francesco; Gonzalez, Leticia; Boggio-Pasqua, Martial (Corresponding author).

In: Molecules, Vol. 25, No. 11, 2613, 06.2020.

Publications: Contribution to journalArticlepeer-review


High-Performance Polymer Foams by Thermally Induced Phase Separation. / Rusakov, Dmitrii; Menner, Angelika; Bismarck, Alexander (Corresponding author).

In: Macromolecular Rapid Communications, Vol. 41, No. 11, 2000110, 06.2020.

Publications: Contribution to journalArticlepeer-review


Matter–wave interference and deflection of tripeptides decorated with fluorinated alkyl chains. / Schätti, Jonas; Köhler, Valentin; Mayor, Marcel et al.

In: Journal of Mass Spectrometry, Vol. 55, No. 6, e4514, 06.2020, p. e4514.

Publications: Contribution to journalArticlepeer-review


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-review


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.

Publications: Contribution to journalArticlepeer-review


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-review


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.

Publications: Contribution to journalArticlepeer-review


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-review


The impact of magnetic field on the conformations of supracolloidal polymer-like structures with super-paramagnetic monomers. / Mostarac, D. (Corresponding author); Novak, E.V.; Sánchez, P.A. et al.

In: Journal of Molecular Liquids, Vol. 305, 112761, 01.05.2020.

Publications: Contribution to journalArticlepeer-review


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.

Publications: Contribution to journalArticlepeer-review


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-review


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.

Publications: Contribution to journalArticlepeer-review


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.

Publications: Contribution to journalArticlepeer-review


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.

Publications: Contribution to journalArticlepeer-review


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-review