Publications



2019


Hybridization of nanocelluloses for improved nanopaper properties. / Mayer, Florian (Corresponding author); Mautner, Andreas; Lee, Koon-Yang et al.
In: American Chemical Society. Abstracts of Papers (at the National Meeting), Vol. 257, 31.03.2019.

Publications: Contribution to journalMeeting abstract/Conference paperPeer Reviewed


Scaling and Interactions of Linear and Ring Polymer Brushes via DPD Simulations. / Jehser, Martin (Corresponding author); Zifferer, Gerhard; Likos, Christos.
In: Polymers, Vol. 11, No. 3, 541, 22.03.2019.

Publications: Contribution to journalArticlePeer Reviewed


Synthesis of epoxidized poly(ester carbonate)-b-polyimide-b-poly(ester carbonate): reactive single-walled carbon nanotube dispersants enable synergistic reinforcement around multi-walled nanotube-grafted carbon fibers. / Liu, Bo; Liu, Chengyin; De Luca, Hugo G. et al.
In: Polymer chemistry, Vol. 10, No. 11, 21.03.2019, p. 1324-1334.

Publications: Contribution to journalArticlePeer Reviewed


Coherent diffraction of hydrogen through the 246 pm lattice of graphene. / Brand, Christian (Corresponding author); Debiossac, Maxime; Susi, Toma et al.
In: New Journal of Physics, Vol. 21, No. 3, 033004, 15.03.2019.

Publications: Contribution to journalArticlePeer Reviewed


Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials. / Singraber, Andreas (Corresponding author); Behler, Jörg; Dellago, Christoph (Corresponding author).
In: Journal of Chemical Theory and Computation, Vol. 15, No. 3, 12.03.2019, p. 1827-1840.

Publications: Contribution to journalArticlePeer Reviewed


An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations. / Qin, Lin (Corresponding author); Dellago, Christoph; Kozeschnik, Ernst.
In: Journal of Chemical Physics, Vol. 150, No. 9, 094114, 07.03.2019.

Publications: Contribution to journalArticlePeer Reviewed


Perforating Freestanding Molybdenum Disulfide Monolayers with Highly Charged Ions. / Kozubek, Roland; Tripathi, Mukesh; Ghorbani-Asl, Mahdi et al.
In: Journal of Physical Chemistry Letters, Vol. 10, No. 5, 07.03.2019, p. 904-910.

Publications: Contribution to journalArticlePeer Reviewed


The 3s Rydberg state as a doorway state in the ultrafast dynamics of 1,1-difluoroethylene. / Gomez Rodriguez, Sandra; Ibele, Lea M.; Gonzalez, Leticia (Corresponding author).
In: Physical Chemistry Chemical Physics, Vol. 21, No. 9, 07.03.2019, p. 4871-4878.

Publications: Contribution to journalArticlePeer Reviewed


Ni2+-Fe3+ cyanometallate structures covalently embedded in silica: Influence of the blocking ligand at Ni2+. / Felbermair, Elisabeth; Akbarzadeh, Johanna; Peterlik, Herwig et al.
In: Inorganica Chimica Acta, Vol. 487, 01.03.2019, p. 456-464.

Publications: Contribution to journalArticlePeer Reviewed


Weakening of magnetic response experimentally observed for ferrofluids with strongly interacting magnetic nanoparticles. / Lebedev, A. V.; Kantorovich, S. S. (Corresponding author); Ivanov, A. O. et al.
In: Journal of Molecular Liquids, Vol. 277, 01.03.2019, p. 762-768.

Publications: Contribution to journalArticlePeer Reviewed


Concepts for long-baseline high-mass matter-wave interferometry. / Kialka, Filip; Stickler, Benjamin A.; Hornberger, Klaus et al.
In: Physica Scripta, Vol. 94, No. 3, 034001, 03.2019.

Publications: Contribution to journalArticlePeer Reviewed


Ovalbumin Epitope SIINFEKL Self-Assembles into a Supramolecular Hydrogel. / Kamalov, Meder; Kaehlig, Hanspeter; Rentenberger, Christian et al.
In: Scientific Reports, Vol. 9, No. 1, 2696, 25.02.2019.

Publications: Contribution to journalArticlePeer Reviewed


Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. / Brandenburg, Jan Gerit; Zen, Andrea; Fitzner, Martin et al.
In: The Journal of Physical Chemistry Letters, Vol. 10, No. 3, 07.02.2019, p. 358-368.

Publications: Contribution to journalArticlePeer Reviewed


Energetics of the coupled electronic–structural transition in the rare-earth nickelates. / Hampel, Alexander (Corresponding author); Liu, Peitao; Franchini, Cesare et al.
In: npj Quantum Materials, Vol. 4, No. 1, 5, 06.02.2019.

Publications: Contribution to journalArticlePeer Reviewed


A High Coordination of Cross-Links Is Beneficial for the Strength of Cross-Linked Fibers. / Shabbir, Huzaifa; Dellago, Christoph; Hartmann, Markus A. (Corresponding author).
In: Biomimetics, Vol. 4, No. 1, 12, 04.02.2019.

Publications: Contribution to journalArticlePeer Reviewed


Direct visualization of the 3D structure of silicon impurities in graphene. / Hofer, Christoph (Corresponding author); Skakalova, Viera; Monazam, Mohammad R.A. et al.
In: Applied Physics Letters, Vol. 114, No. 5, 053102, 04.02.2019.

Publications: Contribution to journalArticlePeer Reviewed


Efficient first principles simulation of electron scattering factors for transmission electron microscopy. / Susi, Toma (Corresponding author); Madsen, Jacob; Ludacka, Ursula et al.
In: Ultramicroscopy, Vol. 197, 01.02.2019, p. 16-22.

Publications: Contribution to journalArticlePeer Reviewed


Design of Protein-Protein Binding Sites Suggests a Rationale for Naturally Occurring Contact Areas. / Nerattini, Francesca; Tubiana, Luca; Cardelli, Chiara et al.
In: Journal of Chemical Theory and Computation, Vol. 15, No. 2, 02.2019, p. 1383-1392.

Publications: Contribution to journalArticlePeer Reviewed


Exploring density functional subspaces with genetic algorithms. / Gastegger, Michael; González, Leticia; Marquetand, Philipp (Corresponding author).
In: Monatshefte für Chemie, Vol. 150, No. 2, 02.2019, p. 173–182.

Publications: Contribution to journalArticlePeer Reviewed


Rapid Water Softening with TEMPO-Oxidized/Phosphorylated Nanopapers. / Mautner, Andreas (Corresponding author); Kobkeatthawin, Thawanrat; Mayer, Florian et al.
In: Nanomaterials, Vol. 9, No. 2, 136, 02.2019.

Publications: Contribution to journalArticlePeer Reviewed