Publications

Showing entries 321 - 340 out of 1283

2021

Improved description of atomic environments using low-cost polynomial functions with compact support. / Bircher, Martin P. (Corresponding author); Singraber, Andreas; Dellago, Christoph.
In: Machine Learning: Science and Technology, Vol. 2, No. 3, 035026, 09.2021.

Publications: Contribution to journal › Article › Peer Reviewed

In-situ small angle X-ray scattering (SAXS) – A versatile tool for clarifying the evolution of microporosity in polymer-derived ceramics. / Konegger, Thomas (Corresponding author); Drechsel, Christina; Peterlik, Herwig.
In: Microporous and Mesoporous Materials, Vol. 324, 111268, 09.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Interfacial Adhesion and Mechanical Properties of Wood-Polymer Hybrid Composites Prepared by Injection Molding. / Stadlmann, Alexander (Corresponding author); Mautner, Andreas; Pramreiter, Maximilian et al.
In: Polymers, Vol. 13, No. 17, 2849, 09.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Photothermal synthesis of confined carbyne. / Shi, Lei (Corresponding author); Senga, Ryosuke; Suenaga, Kazu et al.
In: Carbon, Vol. 182, 09.2021, p. 348-353.

Publications: Contribution to journal › Article › Peer Reviewed

The influence of Cr and Ni doping on the microstructure of oxygen containing diamond-like carbon films. / Dovydaitis, Vilius (Corresponding author); Marcinauskas, Liutauras; Ayala, Paola et al.
In: Vacuum, Vol. 191, 110351, 09.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Ultrafast photochemistry of a molybdenum carbonyl-nitrosyl complex with a triazacyclononane coligand. / Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes et al.
In: Physical Chemistry Chemical Physics, Vol. 23, No. 42, 09.2021, p. 24187-24199.

Publications: Contribution to journal › Article › Peer Reviewed

The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes. / Zobel, J. Patrick (Corresponding author); Gonzalez, Leticia (Corresponding author).
In: JACS Au, Vol. 1, No. 8, 23.08.2021, p. 1116-1140.

Publications: Contribution to journal › Article › Peer Reviewed

Single Indium Atoms and Few-Atom Indium Clusters Anchored onto Graphene via Silicon Heteroatoms. / Elibol, Kenan; Mangler, Clemens; O'Regan, David D. et al.
In: ACS Nano, Vol. 15, No. 9, 19.08.2021, p. 14373–14383.

Publications: Contribution to journal › Article › Peer Reviewed

Hydrogen-Bond Network Determines the Early Photoisomerization Processes of Cph1 and AnPixJ Phytochromes. / Liu, Xiang-Yang; Zhang, Teng-Shuo; Fang, Qiu et al.
In: Angewandte Chemie (International Edition), Vol. 60, No. 34, 16.08.2021, p. 18688-18693.

Publications: Contribution to journal › Article › Peer Reviewed

Pressure-Induced Excitations in the Out-of-Plane Optical Response of the Nodal-Line Semimetal ZrSiS. / Ebad-Allah, J.; Rojewski, S.; Vöst, M. et al.
In: Physical Review Letters, Vol. 127, No. 7, 076402, 11.08.2021.

Publications: Contribution to journal › Article › Peer Reviewed

QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM Approach. / Avagliano, Davide; Bonfanti, Matteo; Garavelli, Marco et al.
In: Journal of Chemical Theory and Computation, Vol. 17, No. 8, 10.08.2021, p. 4639-4647.

Publications: Contribution to journal › Article › Peer Reviewed

Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst. / Cardenas, Gustavo; Trentin, Ivan; Schwiedrzik, Ludwig et al.
In: Chemical Science, Vol. 12, No. 39, 08.2021, p. 12918-12927.

Publications: Contribution to journal › Article › Peer Reviewed

Controlling the Formation of Sodium/Black Phosphorus IntercalationCompounds Towards High Sodium Content. / Werbach, Katharina (Corresponding author); Neiss, Christian; Müllner, Alexander et al.
In: Batteries & Supercaps, Vol. 4, No. 8, 08.2021, p. 1304-1309.

Publications: Contribution to journal › Article › Peer Reviewed

The importance of finite temperature and vibrational sampling in the absorption spectrum of a nitro-functionalized Ru(ii) water oxidation catalyst. / Wernbacher, Anna M. (Corresponding author); Gonzalez, Leticia.
In: Physical Chemistry Chemical Physics, Vol. 23, No. 32, 08.2021, p. 17724-17733.

Publications: Contribution to journal › Article › Peer Reviewed

Temperature-dependent displacement cross section of graphene and its impurities: measuring the carbon adatom migration barrier. / Postl, Andreas (Corresponding author); Madsen, Jacob; Hilgert, Pit Pascal Patrick (Contributor) et al.
In: Microscopy and Microanalysis, Vol. 27, No. S1, 30.07.2021, p. 3340.

Publications: Contribution to journal › Meeting abstract/Conference paper › Peer Reviewed

Anti-Stokes Raman Scattering of Single Carbyne Chains. / Tschannen, Cla Duri (Corresponding author); Frimmer, Martin; Gordeev, Georgy et al.
In: ACS Nano, Vol. 15, No. 7, 27.07.2021, p. 12249-12255.

Publications: Contribution to journal › Article › Peer Reviewed

Effect of softness on glass melting and re-entrant solidification in mixtures of soft and hard colloids. / Parisi, Daniele; Camargo, Manuel (Corresponding author); Makri, Kalliopi et al.
In: Journal of Chemical Physics, Vol. 155, No. 3, 034901, 21.07.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Grow it yourself composites: delignification and hybridisation of lignocellulosic material using animals and fungi. / Weiland, Kathrin; Jones, Mitchell P.; Zinsser, Felix et al.
In: Green Chemistry, Vol. 23, No. 19, 21.07.2021, p. 7506-7514.

Publications: Contribution to journal › Article › Peer Reviewed

Nanoscale synthesis of ionic analogues of bilayer silicene with high carrier mobility. / Averyanov, Dmitry V.; Liu, Peitao; Sokolov, Ivan S. et al.
In: Journal of Materials Chemistry C, Vol. 9, No. 27, 21.07.2021, p. 8545-8551 .

Publications: Contribution to journal › Article › Peer Reviewed

Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation. / Varrassi, Lorenzo (Corresponding author); Liu, Peitao; Ergönenc Yavas, Zeynep et al.
In: Physical Review Materials, Vol. 5, No. 7, 074601, 09.07.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 321 - 340 out of 1283