Publications

Showing entries 21 - 40 out of 1283

2024

Influence of the rigidity of the backbone and arms on the dynamical and conformational properties of the comb polymer in shear flow. / Huang, Xinbiao; Wen, Xiaohui (Corresponding author); Likos, Christos N. et al.
In: Journal of Chemical Physics, Vol. 161, No. 15, 154902, 14.10.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Binding modes of a flexible ruthenium polypyridyl complex to DNA. / Malagarriga Pérez, Meritxell; González, Leticia (Corresponding author).
In: Physical Chemistry Chemical Physics, Vol. 26, No. 42, 11.10.2024, p. 27116-27130.

Publications: Contribution to journal › Article › Peer Reviewed

Quantitative Measurement of Cooperative Binding in Partially Dissociated Water Dimers at the Hematite “R-Cut” Surface. / Ryan, Paul T. P.; Sombut, Panukorn; Rafsanjani-Abbasi, Ali et al.
In: Journal of Physical Chemistry C, Vol. 128, No. 40, 10.10.2024, p. 16977-16985.

Publications: Contribution to journal › Article › Peer Reviewed

Density isobar of water and melting temperature of ice: Assessing common density functionals. / Montero de Hijes, Pablo (Corresponding author); Dellago, Christoph; Jinnouchi, Ryosuke et al.
In: Journal of Chemical Physics, Vol. 161, No. 13, 131102 , 07.10.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Digging Its Own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst. / Rafsanjani-Abbasi, Ali; Buchner, Florian; Lewis, Faith J. et al.
In: ACS Nano, Vol. 18, No. 39, 01.10.2024, p. 26920-26927.

Publications: Contribution to journal › Article › Peer Reviewed

Best of Both Worlds: Adsorptive Ultrafiltration Nanocellulose-Hypercrosslinked Polymer Hybrid Membranes for Metal Ion Removal. / Mayer, Florian; Schweng, Paul; Bräuer, Simone et al.
In: Small Science, Vol. 4, No. 10, 2400182, 10.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Electron mobilities in SrTiO3 and KTaO3: Role of phonon anharmonicity, mass renormalization, and disorder. / Ranalli, Luigi (Corresponding author); Verdi, Carla; Zacharias, Marios et al.
In: Physical Review Materials, Vol. 8, No. 10, 104603, 10.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Macroporous lignin adsorbents: A bio-sourced tool kit to defuse the Cr(VI) threat in wastewater. / Barkan-Öztürk, Hande; Verdross, Philip; Bismarck, Alexander (Corresponding author).
In: Journal of environmental chemical engineering, Vol. 12, No. 5, 113621, 10.2024.

Publications: Contribution to journal › Article › Peer Reviewed

A Multitechnique Study of C2H4 Adsorption on a Model Single-Atom Rh1 Catalyst. / Wang, Chunlei (Corresponding author); Sombut, Panukorn; Puntscher, Lena et al.
In: Journal of Physical Chemistry C, Vol. 128, No. 37, 19.09.2024, p. 15404-15411.

Publications: Contribution to journal › Article › Peer Reviewed

Branched Polymeric Prenucleation Assemblies Initiate Calcium Phosphate Precipitation. / Turhan, Ertan; Goldberga, Ieva; Pötzl, Christopher et al.
In: Journal of the American Chemical Society, Vol. 146, No. 37, 18.09.2024, p. 25614-25624.

Publications: Contribution to journal › Article › Peer Reviewed

Stoichiometric reconstruction of the Al2O3(0001) surface. / Hütner, Johanna I.; Conti, Andrea; Kugler, David et al.
In: Science, Vol. 385, No. 6714, 13.09.2024, p. 1241-1244.

Publications: Contribution to journal › Article › Peer Reviewed

Diastereoselective hydride transfer enables a synthesis of chiral 1,5-carboxamido-trifluoromethylcarbinols. / Tinelli, Roberto; Schupp, Manuel; Klose, Simon Immo et al.
In: Chemical Science, Vol. 15, No. 38, 09.09.2024, p. 15751-15756.

Publications: Contribution to journal › Article › Peer Reviewed

SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics. / Mausenberger, Sascha; Müller, Carolin (Corresponding author); Tkatchenko, Alexandre et al.
In: Chemical Science, Vol. 15, No. 38, 02.09.2024, p. 15880-15890.

Publications: Contribution to journal › Article › Peer Reviewed

Single atoms and metal nanoclusters anchored to graphene vacancies. / Trentino, Alberto; Zagler, Georg; Längle, Manuel et al.
In: Micron, Vol. 184, 103667, 09.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Derivative learning of tensorial quantities—Predicting finite temperature infrared spectra from first principles. / Schmiedmayer, Bernhard (Corresponding author); Kresse, Georg.
In: Journal of Chemical Physics, Vol. 161, No. 8, 084703, 28.08.2024.

Publications: Contribution to journal › Article › Peer Reviewed

An on-demand source of nanoparticles for optomechanics. / Rieser, P.; Rahaman, N.; Donnerbauer, F. et al.
In: Applied Physics Letters, Vol. 125, No. 9, 094101, 26.08.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Analytic method for quadratic polarons in nonparabolic bands. / Klimin, S. N.; Tempere, J.; Houtput, M. et al.
In: Physical Review B, Vol. 110, No. 7, 075107, 15.08.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Unimolecular net heterolysis of symmetric and homopolar σ-bonds. / Tiefel, Anna F.; Grenda, Daniel J.; Allacher, Carina et al.
In: Nature, Vol. 632, No. 8025, 15.08.2024, p. 550-556.

Publications: Contribution to journal › Article › Peer Reviewed

An Atomistic View on the Mechanism of Diatom Peptide-Guided Biomimetic Silica Formation. / Kozak, Fanny; Brandis, Dörte; Pötzl, Christopher et al.
In: Advanced science, Vol. 11, No. 30, 2401239, 14.08.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Origin of Magnetism in a Supposedly Nonmagnetic Osmium Oxide. / Agrestini, S. (Corresponding author); Borgatti, F.; Florio, P. et al.
In: Physical Review Letters, Vol. 133, No. 6, 066501, 09.08.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 21 - 40 out of 1283