Publications

Showing entries 121 - 140 out of 1283

2023

Pb9Cu(PO4)6O is a charge-transfer semiconductor. / Celiberti, Lorenzo; Varrassi, Lorenzo; Franchini, Cesare.
In: Physical Review B, Vol. 108, No. 20, L201117, 15.11.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Cluster Formation in Solutions of Polyelectrolyte Rings. / Staňo, Roman (Corresponding author); Smrek, Jan; Likos, Christos N.
In: ACS Nano, Vol. 17, No. 21, 14.11.2023, p. 21369–21382.

Publications: Contribution to journal › Article › Peer Reviewed

Structural composite batteries made from carbon fibre reinforced electrodes / polymer gel electrolyte prepregs. / Jiang, Qixiang (Corresponding author); Beutl, Alexander; Kühnelt, Helmut et al.
In: Composites Science and Technology, Vol. 244, 110312, 10.11.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Black liquor-based epoxy resin: Thermosets from untreated kraft lignin. / Verdross, Philip; Guinchard, Salomé; Woodward, Robert T. (Corresponding author) et al.
In: Chemical engineering journal, Vol. 475, 145787, 01.11.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Controlling the coarsening dynamics of ferrogranular networks by means of a vertical magnetic field. / Biersack, Matthias; Lakkis, Ali; Richter, Reinhard et al.
In: Physical Review E, Vol. 108, No. 5, 054905, 11.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Micellar aggregation of poly(acrylamide-co-styrene): Towards ‘self-removing’ polymers from solution. / Muratspahic, Emina; Schöffmann, Jana; Jiang, Qixiang et al.
In: Reactive and Functional Polymers, Vol. 192, 105732, 11.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Relating the length of a magnetic filament with solvophobic, superparamagnetic colloids to its properties in applied magnetic fields. / Mostarac, Deniz; Novak, Ekaterina V.; Kantorovich, Sofia S. (Corresponding author).
In: Physical Review E, Vol. 108, No. 5, 054601, 11.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Machine Learning Density Functionals from the Random-Phase Approximation. / Riemelmoser, Stefan (Corresponding author); Verdi, Carla; Kaltak, Merzuk et al.
In: Journal of Chemical Theory and Computation, Vol. 19, No. 20, 24.10.2023, p. 7287-7299.

Publications: Contribution to journal › Article › Peer Reviewed

Mixing Linear Polymers with Rings and Catenanes: Bulk and Interfacial Behavior. / Staňo, Roman (Corresponding author); Likos, Christos N. (Corresponding author); Egorov, Sergei A. (Corresponding author).
In: Macromolecules, Vol. 56, No. 20, 24.10.2023, p. 8168-8182.

Publications: Contribution to journal › Article › Peer Reviewed

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry. / Max-Plank-Institut für Festkörperforschung; Lindh, Roland (Corresponding author).
In: Journal of Chemical Theory and Computation, Vol. 19, No. 20, 24.10.2023, p. 6933-6991.

Publications: Contribution to journal › Article › Peer Reviewed

Giving the Green Light to Photochemical Uncaging of Large Biomolecules in High Vacuum. / Hua, Yong; Strauss, Marcel; Fisher, Sergey et al.
In: JACS Au, Vol. 3, No. 10, 23.10.2023, p. 2790-2799.

Publications: Contribution to journal › Article › Peer Reviewed

Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe. / Stitch, Mark; Avagliano, Davide; Graczyk, Daniel et al.
In: Journal of the American Chemical Society, Vol. 145, No. 39, 04.10.2023, p. 21344-21360.

Publications: Contribution to journal › Article › Peer Reviewed

Interface effects on titanium growth on graphene. / Zagler, Georg (Corresponding author); Trentino, Alberto; Mustonen, Kimmo et al.
In: 2D Materials, Vol. 10, No. 4, 045025, 10.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Sulfonated hypercrosslinked polymer enhanced structural composite supercapacitors. / Hubert, Olivier; Todorovic, Nikola; Rojas González, Lina M. et al.
In: Composites Science and Technology, Vol. 242, 110152, 29.09.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Impurity atom configurations in diamond and their visibility via scanning transmission electron microscopy imaging. / Propst, Diana; Kotakoski, Jani (Corresponding author); Ahlgren, Elina Harriet (Corresponding author).
In: Electronic Structure, Vol. 5, No. 3, 033004, 28.09.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Creation of Single Vacancies in hBN with Electron Irradiation. / Bui, Thuy An (Corresponding author); Leuthner, Gregor T.; Madsen, Jacob et al.
In: Small, Vol. 19, No. 39, 2301926 , 27.09.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Singlet and Triplet Pathways Determine the Thermal Z/E Isomerization of an Arylazopyrazole-Based Photoswitch. / Singer, Nadja K; Schlögl, Katharina; Zobel, J Patrick et al.
In: The Journal of Physical Chemistry Letters, Vol. 14, No. 40, 23.09.2023, p. 8956-8961.

Publications: Contribution to journal › Article › Peer Reviewed

A Multitechnique Study of C2H4 Adsorption on Fe3O4(001). / Puntscher, Lena; Sombut, Panukorn; Wang, Chunlei et al.
In: Journal of Physical Chemistry C, Vol. 127, No. 37, 21.09.2023, p. 18378-18388.

Publications: Contribution to journal › Article › Peer Reviewed

Multi-particle collision dynamics for a coarse-grained model of soft colloids applied to ring polymers. / Sappl, Lisa; Likos, Christos N.; Zöttl, Andreas (Corresponding author).
In: Journal of Chemical Physics, Vol. 159, No. 11, 114904, 21.09.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Optimizing the architecture of Behler-Parrinello neural network potentials. / Kývala, Lukáš; Dellago, Christoph (Corresponding author).
In: Journal of Chemical Physics, Vol. 159, No. 9, 094105, 07.09.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 121 - 140 out of 1283