Publications

Showing entries 881 - 900 out of 1271

2017

Unifying Principles of the Reductive Covalent Graphene Functionalization. / Abellan, Gonzalo; Schirowski, Milan; Edelthalhammer, Konstantin et al.
In: Journal of the American Chemical Society, Vol. 139, No. 14, 21.03.2017, p. 5175–5182.

Publications: Contribution to journal › Article › Peer Reviewed

Full rotational control of levitated silicon nanorods. / Kuhn, Stefan (Corresponding author); Kosloff, Alon; Stickler, Benjamin A. et al.
In: Optica, Vol. 4, No. 3, 20.03.2017, p. 356-360.

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Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis. / Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg.
In: Journal of Chemical Physics, Vol. 146, No. 10, 104101, 14.03.2017.

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Scattering properties and internal structure of magnetic filament brushes. / Pyanzina, Elena S. (Corresponding author); Sánchez, Pedro A.; Cerdà, Joan J. et al.
In: Soft Matter, Vol. 13, No. 14, 13.03.2017, p. 2590 -2602.

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Unraveling the 3D Atomic Structure of a Suspended Graphene/hBN van der Waals Heterostructure. / Argentero, Giacomo; Mittelberger, Andreas; Ahmad Pour Monazam, Mohammad Reza et al.
In: Nano Letters: a journal dedicated to nanoscience and nanotechnology, Vol. 17, No. 3, 08.03.2017, p. 1409-1416.

Publications: Contribution to journal › Article › Peer Reviewed

Analytic Interatomic Forces in the Random Phase Approximation. / Ramberger, Benjamin; Schäfer, Tobias; Kresse, Georg (Corresponding author).
In: Physical Review Letters, Vol. 118, No. 10, 106403, 07.03.2017.

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Dimensionality-strain phase diagram of strontium iridates. / Kim, Bongjae (Corresponding author); Liu, Peitao; Franchini, Cesare.
In: Physical Review B, Vol. 95, No. 11, 115111, 07.03.2017.

Publications: Contribution to journal › Article › Peer Reviewed

Sequential Proton-Coupled Electron Transfer Mediates Excited-State Deactivation of a Eumelanin Building Block. / Nogueira Perez, Juan Jose; Corani, Alice; El Nahhas, Amal et al.
In: The Journal of Physical Chemistry Letters, Vol. 8, No. 5, 02.03.2017, p. 1004-1008.

Publications: Contribution to journal › Article › Peer Reviewed

Defect engineering of single- and few-layer MoS2 by swift heavy ion irradiation. / Madauß, Lukas; Ochedowski, Oliver; Lebius, Henning et al.
In: 2D Materials, Vol. 4, No. 1, 015034, 03.2017.

Publications: Contribution to journal › Article › Peer Reviewed

Efficient continuous removal of nitrates from water with cationic cellulose nanopaper membranes. / Mautner, Andreas (Corresponding author); Kobkeatthawin, Thawanrat; Bismarck, Alexander.
In: Resource-Efficient Technologies, Vol. 3, No. 1, 03.2017, p. 22–28.

Publications: Contribution to journal › Article › Peer Reviewed

2D Heterostructures Derived from MoS2-Templated, Cobalt-Containing Conjugated Microporous Polymer Sandwiches for the Oxygen Reduction Reaction and Electrochemical Energy Storage. / Yuan, Kai; Zhuang, Xiaodong (Corresponding author); Hu, Ting et al.
In: Chemelectrochem, Vol. 4, No. 3, 03.2017, p. 709-715.

Publications: Contribution to journal › Article › Peer Reviewed

Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine. / Borin, Antonio Carlos (Corresponding author); Mai, Sebastian (Corresponding author); Marquetand, Philipp et al.
In: Physical Chemistry Chemical Physics, Vol. 19, No. 8, 28.02.2017, p. 5888-5894.

Publications: Contribution to journal › Article › Peer Reviewed

Single-atom spectroscopy of phosphorus dopants implanted into graphene. / Susi, Toma (Corresponding author); Hardcastle, Trevor P ; Hofsäss, Hans et al.
In: 2D Materials, Vol. 4, No. 2, 021013, 17.02.2017.

Publications: Contribution to journal › Article › Peer Reviewed

Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics. / Czapla-Masztafiak, Joanna; Nogueira Perez, Juan Jose; Lipiec, Ewelina et al.
In: The Journal of Physical Chemistry Letters, Vol. 8, No. 4, 16.02.2017, p. 805-811.

Publications: Contribution to journal › Article › Peer Reviewed

Macroscopic dielectric function within time-dependent density functional theory-Real time evolution versus the Casida approach. / Sander, Tobias (Corresponding author); Kresse, Georg.
In: Journal of Chemical Physics, Vol. 146, No. 6, 064110, 14.02.2017.

Publications: Contribution to journal › Article › Peer Reviewed

NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations. / de Wijs, G. A. (Corresponding author); Laskowski, R.; Blaha, P. et al.
In: Journal of Chemical Physics, Vol. 146, No. 6, 064115, 14.02.2017.

Publications: Contribution to journal › Article › Peer Reviewed

An Asymmetric Redox Arylation: Chirality Transfer from Sulfur to Carbon through a Sulfonium [3,3]-Sigmatropic Rearrangement. / Kaldre, Dainis; Maryasin, Boris; Kaiser, Daniel et al.
In: Angewandte Chemie (International Edition), Vol. 56, No. 8, 13.02.2017, p. 2212-2215.

Publications: Contribution to journal › Article › Peer Reviewed

Selective photodissociation of tailored molecular tags as a tool for quantum optics. / Sezer, Ugur; Geyer, Philipp; Kriegleder, Moritz et al.
In: Beilstein Journal of Nanotechnology, Vol. 8, 02.02.2017, p. 325-333.

Publications: Contribution to journal › Article › Peer Reviewed

Condensation and Demixing in Solutions of DNA Nanostars and Their Mixtures. / Locatelli, Emanuele (Corresponding author); Handle, Philip H.; Likos, Christos N. et al.
In: ACS Nano, Vol. 11, No. 2, 02.2017, p. 2094-2102.

Publications: Contribution to journal › Article › Peer Reviewed

GW100: A Plane Wave Perspective for Small Molecules. / Maggio, Emanuele; Liu, Peitao; van Setten, Michiel J. et al.
In: Journal of Chemical Theory and Computation, Vol. 13, No. 2, 02.2017, p. 635-648.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 881 - 900 out of 1271