Publications



2016


Effect of entropy on the nucleation of cavitation bubbles in water under tension. / Menzl, Georg (Corresponding author); Dellago, Christoph.
In: Journal of Chemical Physics, Vol. 145, No. 21, 211918, 21.12.2016.

Publications: Contribution to journalArticlePeer Reviewed


The behavior of a magnetic filament in flow under the influence of an external magnetic field. / Lüsebrink, Daniel; Cerdà, Joan J.; Sánchez, Pedro A. et al.
In: Journal of Chemical Physics, Vol. 145, No. 23, 234902, 21.12.2016.

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Organic fouling behaviour of structurally and chemically different forward osmosis membranes - A study of cellulose triacetate and thin film composite membranes. / Mazlan, Nur Muna; Marchetti, Patrizia; Maples, H. A. et al.
In: Journal of Membrane Science, Vol. 520, 15.12.2016, p. 247-261.

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Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics. / Rauer, Clemens; Nogueira Perez, Juan Jose; Marquetand, Philipp (Corresponding author) et al.
In: Journal of the American Chemical Society, Vol. 138, No. 49, 14.12.2016, p. 15911-15916.

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Metal-Free meta-Selective Alkyne Oxyarylation with Pyridine N-Oxides: Rapid Assembly of Metyrapone Analogues. / Chen, Xiangyu; Ruider, Stefan A.; Hartmann, Rolf W. et al.
In: Angewandte Chemie (International Edition), Vol. 55, No. 49, 05.12.2016, p. 15424-15428.

Publications: Contribution to journalArticlePeer Reviewed


Semiconducting response in single-walled carbon nanotubes filled with cadmium chloride. / Kharlamova, Marianna V. (Corresponding author); Kramberger, Christian; Pichler, Thomas.
In: Physica Status Solidi. B: Basic Research, Vol. 253, No. 12, 01.12.2016, p. 2433-2439.

Publications: Contribution to journalArticlePeer Reviewed


Environmental control of electron-phonon coupling in barium doped graphene. / Verbitskiy, N. I.; Fedorov, A. V.; Tresca, C. et al.
In: 2D Materials, Vol. 3, No. 4, 045003, 12.2016.

Publications: Contribution to journalArticlePeer Reviewed


Molecular mechanism for cavitation in water under tension. / Menzl, Georg; Gonzalez, Miguel A.; Geiger, Philipp et al.
In: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Vol. 113, No. 48, 29.11.2016, p. 13582-13587.

Publications: Contribution to journalArticlePeer Reviewed


Electron and hole doping in the relativistic Mott insulator Sr2IrO4: A first-principles study using band unfolding technique. / Liu, Peitao; Reticcioli, Michele; Kim, Bongjae et al.
In: Physical Review B, Vol. 94, No. 19, 195145, 28.11.2016.

Publications: Contribution to journalArticlePeer Reviewed


Strong and Stiff: High-Performance Cellulose Nanocrystal/Poly(vinyl alcohol) Composite Fibers. / Lee, Won Jun; Clancy, Adam J.; Kontturi, Eero et al.
In: ACS Applied Materials and Interfaces, Vol. 8, No. 46, 23.11.2016, p. 31500-31504.

Publications: Contribution to journalArticlePeer Reviewed


Polyyne electronic and vibrational properties under environmental interactions. / Wanko, Marius (Corresponding author); Cahangirov, Seymur; Shi, Lei et al.
In: Physical Review B, Vol. 94, No. 19, 195422, 14.11.2016.

Publications: Contribution to journalArticlePeer Reviewed


Multiblob coarse-graining for mixtures of long polymers and soft colloids. / Locatelli, Emanuele (Corresponding author); Capone, Barbara; Likos, Christos N.
In: Journal of Chemical Physics, Vol. 145, No. 17, 174901, 07.11.2016.

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Ductile unidirectional continuous rayon fibre-reinforced hierarchical composites. / Shamsuddin, Siti-Ros; Lee, Koon-Yang; Bismarck, Alexander (Corresponding author).
In: Composites Part A: Applied Science and Manufacturing, Vol. 90, 11.2016, p. 633-641.

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Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra. / Ruckenbauer, Matthias; Mai, Sebastian; Marquetand, Philipp (Corresponding author) et al.
In: Scientific Reports, Vol. 6, 35522, 20.10.2016.

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Iron as a source of efficient Shockley-Read-Hall recombination in GaN. / Wickramaratne, Darshana (Corresponding author); Shen, Jimmy-Xuan; Dreyer, Cyrus E. et al.
In: Applied Physics Letters, Vol. 109, No. 16, 162107, 17.10.2016.

Publications: Contribution to journalArticlePeer Reviewed


Isotope analysis in the transmission electron microscope. / Susi, Toma (Corresponding author); Hofer, Christoph; Argentero, Giacomo et al.
In: Nature Communications, Vol. 7, 13040, 10.10.2016.

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Cubic scaling GW: Towards fast quasiparticle calculations. / Liu, Peitao (Corresponding author); Kaltak, Merzuk; Klimes, Jiri et al.
In: Physical Review B, Vol. 94, No. 16, 165109, 05.10.2016.

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The origin of efficient triplet state population in sulfur-substituted nucleobases. / Mai, Sebastian; Pollum, Marvin; Martinez-Fernandez, Lara et al.
In: Nature Communications, Vol. 7, 13077, 05.10.2016.

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Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling. / Borrero, E. E.; Dellago, C. (Corresponding author).
In: European Physical Journal. Special Topics, Vol. 225, No. 8-9, 10.2016, p. 1609-1620.

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High-Performance Hybrid Electronic Devices from Layered PtSe2 Films Grown at Low Temperature. / Yim, Chanyoung; Lee, Kangho; McEvoy, Niall (Corresponding author) et al.
In: ACS Nano, Vol. 10, No. 10, 10.2016, p. 9550-9558.

Publications: Contribution to journalArticlePeer Reviewed