Publications 2019
Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes. / Plasser, Felix (Corresponding author); Mai, Sebastian; Fumanal, Maria et al.
In: Journal of Chemical Theory and Computation, Vol. 15, No. 9, 09.2019, p. 5031-5045.Publications: Contribution to journal › Article › peer-review
The Role of Electronic Triplet States and High-Lying Singlet States in the Deactivation Mechanism of the Parent BODIPY: An ADC(2) and CASPT2 Study. / De Vetta, Martina; Gonzalez, Leticia; Corral, Ines (Corresponding author).
In: ChemPhotoChem, Vol. 3, No. 9, 09.2019, p. 727-738.Publications: Contribution to journal › Article › peer-review
Waste-Derived Low-Cost Mycelium Nanopapers with Tunable Mechanical and Surface Properties. / Jones, Mitchell; Weiland, Kathrin; Kujundzic, Marina et al.
In: Biomacromolecules, Vol. 20, No. 9, 09.2019, p. 3513-3523.Publications: Contribution to journal › Article › peer-review
Directional and regioselective hole injection of spiropyran photoswitches intercalated into A/T-duplex DNA. / Avagliano, Davide; Sanchez-Murcia, Pedro A. (Corresponding author); Gonzalez, Leticia (Corresponding author).
In: Physical Chemistry Chemical Physics, Vol. 21, No. 32, 28.08.2019, p. 17971-17977.Publications: Contribution to journal › Article › peer-review
Oxidation stability of confined linear carbon chains, carbon nanotubes, and graphene nanoribbons as 1D nanocarbons. / Cui, Weili; Saito, Takeshi; Ayala, Paola et al.
In: Nanoscale, Vol. 11, No. 32, 28.08.2019, p. 15253-15258.Publications: Contribution to journal › Article › peer-review
Multi-particle collision dynamics for a coarse-grained model of soft colloids. / Ruiz-Franco, Jose; Jaramillo-Cano, Diego; Camargo, Manuel (Corresponding author) et al.
In: Journal of Chemical Physics, Vol. 151, No. 7, 074902, 21.08.2019.Publications: Contribution to journal › Article › peer-review
Parametrization of LSDA+U for noncollinear magnetic configurations : Multipolar magnetism in UO2. / Dudarev, S. L. (Corresponding author); Liu, P.; Andersson, D. A. et al.
In: Physical Review Materials, Vol. 3, No. 8, 083802, 19.08.2019.Publications: Contribution to journal › Article › peer-review
Substitutional Si impurities in monolayer hexagonal boron nitride. / Monazam, Mohammad Reza Ahmadpour (Corresponding author); Ludacka, Ursula; Komsa, Hannu-Pekka et al.
In: Applied Physics Letters, Vol. 115, No. 7, 071604, 16.08.2019.Publications: Contribution to journal › Article › peer-review
Computational analysis of conductivity contributions in an ionic liquid mixture of 1-ethyl-3-methylimidazolium dicyanamide and tetrafluoroborate. / Zeindlhofer, Veronika; Zehetner, Leopold; Paschinger, Werner et al.
In: Journal of Molecular Liquids, Vol. 288, 110993, 15.08.2019.Publications: Contribution to journal › Article › peer-review
Influence of Local Defects on the Dynamics of O-H Bond Breaking and Formation on a Magnetite Surface. / Bourgund, Alexander; Lechner, Barbara A. J. (Corresponding author); Meier, Matthias et al.
In: Journal of Physical Chemistry C, Vol. 123, No. 32, 15.08.2019, p. 19742-19747.Publications: Contribution to journal › Article › peer-review
Non-equilibrium effects of molecular motors on polymers. / Foglino, M.; Locatelli, E. (Corresponding author); Brackley, C. A. et al.
In: Soft Matter, Vol. 15, No. 29, 07.08.2019, p. 5995-6005.Publications: Contribution to journal › Article › peer-review
Patterned Ultra-Thin Gold Nanostructures on Graphene. / Zagler, Georg (Corresponding author); Mangler, Clemens; Kotakoski, Jani.
In: Microscopy and Microanalysis, Vol. 25, No. S2, 05.08.2019, p. 1530-1531.Publications: Contribution to journal › Meeting abstract/Conference paper › peer-review
Quantifying Elastic and Inelastic Electron Irradiation Damage in Transmission Electron Microscopy of 2D Materials. / Susi, Toma (Corresponding author); Lehnert, Tibor; Kaiser, Ute et al.
In: Microscopy and Microanalysis, Vol. 25, No. S2, 05.08.2019, p. 454-455.Publications: Contribution to journal › Meeting abstract/Conference paper › peer-review
Electron-Beam Manipulation of Lattice Impurities in Graphene and Single-Walled Carbon Nanotubes. / Susi, Toma (Corresponding author); Tripathi, Mukesh; Mustonen, Kimmo et al.
In: Microscopy and Microanalysis, Vol. 25, No. S2, 01.08.2019, p. 938-939.Publications: Contribution to journal › Meeting abstract/Conference paper › peer-review
Nanoscale Vibrational Spectroscopy of Graphene by Large-q EELS. / Senga, Ryosuke; Suenaga, Kazu; Morishita, Shigeyuki et al.
In: Microscopy and Microanalysis, Vol. 25, No. Suppl. S2, 08.2019, p. 612-613.Publications: Contribution to journal › Article › peer-review
Scanning transmission electron microscopy under controlled low-pressure atmospheres. / Leuthner, Gregor T.; Hummel, Stefan; Mangler, Clemens et al.
In: Ultramicroscopy, Vol. 203, 08.2019, p. 76-81.Publications: Contribution to journal › Article › peer-review
Silicon Substitution in Monolayer Hexagonal Boron Nitride. / Ahmadpour Monazam, Mohammad Reza (Corresponding author); Ludacka, Ursula; Komsa, Hannu-Pekka et al.
In: Microscopy and Microanalysis, Vol. 25, No. S2, 08.2019, p. 2082–2083.Publications: Contribution to journal › Meeting abstract/Conference paper › peer-review
Defect chemistry of Eu dopants in NaI scintillators studied by atomically resolved force microscopy. / Ulreich, Manuel; Boatner, Lynn A.; Sokolovic, Igor et al.
In: Physical Review Materials, Vol. 3, No. 7, 075004, 24.07.2019.Publications: Contribution to journal › Article › peer-review
Wall- and Hybridisation-Selective Synthesis of Nitrogen-Doped Double-Walled Carbon Nanotubes. / Carini, Marco; Shi, Lei; Chamberlain, Thomas W. et al.
In: Angewandte Chemie (International Edition), Vol. 58, No. 30, 22.07.2019, p. 10276-10280.Publications: Contribution to journal › Article › peer-review
Field-responsive colloidal assemblies defined by magnetic anisotropy. / Steinbach, Gabi (Corresponding author); Schreiber, Michael; Nissen, Dennis et al.
In: Physical Review E, Vol. 100, No. 1, 012608, 18.07.2019.Publications: Contribution to journal › Article › peer-review