Publications 2019
First-principles study of the melting temperature of MgO. / Rang, Max; Kresse, Georg (Corresponding author).
In: Physical Review B, Vol. 99, No. 18, 184103, 10.05.2019.Publications: Contribution to journal › Article › peer-review
DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics. / Avagliano, Davide; Sanchez-Murcia, Pedro A. (Corresponding author); Gonzalez, Leticia (Corresponding author).
In: Physical Chemistry Chemical Physics, Vol. 21, No. 17, 07.05.2019, p. 8614-8618.Publications: Contribution to journal › Article › peer-review
Self-organization of gel networks formed by block copolymer stars. / Garlea, Ioana C. (Corresponding author); Jaramillo-Cano, Diego; Likos, Christos N.
In: Soft Matter, Vol. 15, No. 17, 07.05.2019, p. 3527-3540.Publications: Contribution to journal › Article › peer-review
A XMS-CASPT2 non-adiabatic dynamics study on pyrrole. / Heindl, Moritz; Gonzalez, Leticia (Corresponding author).
In: Computational and Theoretical Chemistry, Vol. 1155, 01.05.2019, p. 38-46.Publications: Contribution to journal › Article › peer-review
Agricultural by-product suitability for the production of chitinous composites and nanofibers utilising Trametes versicolor and Polyporus brumalis mycelial growth. / Jones, Mitchell P.; Lawrie, Ann C.; Huynh, Tien T. et al.
In: Process biochemistry, Vol. 80, 05.2019, p. 95-102.Publications: Contribution to journal › Article › peer-review
Biphenyl-Bridged Organosilica as a Precursor for Mesoporous Silicon Oxycarbide and Its Application in Lithium and Sodium Ion Batteries. / Weinberger, Manuel (Corresponding author); Su, Po-Hua; Peterlik, Herwig et al.
In: Nanomaterials, Vol. 9, No. 5, 754, 05.2019.Publications: Contribution to journal › Article › peer-review
Parallel Multistream Training of High-Dimensional Neural Network Potentials. / Singraber, Andreas (Corresponding author); Morawietz, Tobias; Behler, Joerg et al.
In: Journal of Chemical Theory and Computation, Vol. 15, No. 5, 05.2019, p. 3075-3092.Publications: Contribution to journal › Article › peer-review
Pitfalls of determining the elastic properties of stabilized zirconia with indentation methods. / Werbach, K. (Corresponding author); Hummel, S.; Ebner, C. et al.
In: Ceramics International, Vol. 45, No. 7B, 05.2019, p. 9491-9496.Publications: Contribution to journal › Article › peer-review
Revealing the doping effect of encapsulated lead halogenides on single-walled carbon nanotubes. / Kharlamova, Marianna (Corresponding author); Kramberger, Christian; Rudatis, Paolo et al.
In: Applied Physics A: materials science & processing, Vol. 125, No. 5, 320, 05.2019.Publications: Contribution to journal › Article › peer-review
Screened Exchange Corrections to the Random Phase Approximation from Many-Body Perturbation Theory. / Hummel, Felix (Corresponding author); Grüneis, Andreas; Kresse, Georg et al.
In: Journal of Chemical Theory and Computation, Vol. 15, No. 5, 05.2019, p. 3223-3236.Publications: Contribution to journal › Article › peer-review
Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111). / Moreno-Lopez, Juan Carlos (Corresponding author); John Mowbray, Duncan; Perez Paz, Alejandro et al.
In: Chemistry of Materials, Vol. 31, No. 8, 23.04.2019, p. 3009-3017.Publications: Contribution to journal › Article › peer-review
Metal-Organic Framework Co-MOF-74-Based Host-Guest Composites for Resistive Gas Sensing. / Strauss, Ina (Corresponding author); Mundstock, Alexander; Treger, Marvin et al.
In: ACS Applied Materials and Interfaces, Vol. 11, No. 15, 17.04.2019, p. 14175-14181.Publications: Contribution to journal › Article › peer-review
Gitteröffnung durch reduktive kovalente Volumen‐Funktionalisierung von schwarzem Phosphor. / Wild, Stefan; Fickert, Michael; Mitrovic, Aleksandra et al.
In: Angewandte Chemie, Vol. 131, No. 17, 16.04.2019, p. 5820-5826.Publications: Contribution to journal › Article › peer-review
Lattice Opening upon Bulk Reductive Covalent Functionalization of Black Phosphorus. / Wild, Stefan; Fickert, Michael; Mitrovic, Aleksandra et al.
In: Angewandte Chemie - International Edition, Vol. 58, No. 17, 16.04.2019, p. 5763-5768.Publications: Contribution to journal › Article › peer-review
Hamilton Receptor-Mediated Self-Assembly of Orthogonally Functionalized Au and TiO2 Nanoparticles. / Ali, Muhammad; Hasenoehrl, Dominik H.; Zeininger, Lukas et al.
In: Helvetica Chimica Acta, Vol. 102, No. 4, e1900015, 15.04.2019.Publications: Contribution to journal › Article › peer-review
Mechanically whipped phenolic froths as versatile templates for manufacturing phenolic and carbon foams. / Jalalian, Mohammad; Jiang, Qixiang (Corresponding author); Coulon, Arnaud et al.
In: Materials & Design, Vol. 168, 107658, 15.04.2019.Publications: Contribution to journal › Article › peer-review
Silicon microcavity arrays with open access and a finesse of half a million. / Wachter, Georg; Kuhn, Stefan (Corresponding author); Minniberger, Stefan et al.
In: Light: Science & Applications, Vol. 8, 37, 10.04.2019.Publications: Contribution to journal › Article › peer-review
Chitin Nanopaper from Mushroom Extract: Natural Composite of Nanofibers and Glucan from a Single Biobased Source. / Nawawi, Wan Mohd Fazli Wan; Lee, Koon-Yang; Kontturi, Eero (Corresponding author) et al.
In: ACS Sustainable Chemistry & Engineering, Vol. 7, No. 7, 01.04.2019, p. 6492-6496.Publications: Contribution to journal › Article › peer-review
Carbon Nanostructures in Cancer Diagnosis and Therapy. / Bendjemil, Badis (Corresponding author); Cleymand, Franck; Pichler, Thomas et al.
In: Journal of Nanomedicine, Nanoscience and Technology, 31.03.2019.Publications: Contribution to journal › Article › peer-review
Cellulose fibril emulsifiers: Interesting and versatile. / Lee, Koon-Yang; Murakami, Ryo; Bismarck, Alexander (Corresponding author).
In: American Chemical Society. Abstracts of Papers (at the National Meeting), Vol. 257, 31.03.2019.Publications: Contribution to journal › Meeting abstract/Conference paper › peer-review