Publications

Showing entries 661 - 680 out of 1271

2018

Assessing Configurational Sampling in the Quantum Mechanics/Molecular Mechanics Calculation of Temoporfin Absorption Spectrum and Triplet Density of States. / De Vetta, Martina; Baig, Omar; Steen, Dorika et al.
In: Molecules, Vol. 23, No. 11, 2932, 11.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Frothed black liquor as a renewable cost effective precursor to low-density lignin and carbon foams. / Jalalian, Mohammad; Jiang, Qixiang (Corresponding author); Birot, Marc et al.
In: Reactive & Functional Polymers, Vol. 132, 11.2018, p. 145-151.

Publications: Contribution to journal › Article › Peer Reviewed

Raman resonance profile of an individual confined long linear carbon chain. / Heeg, Sebastian (Corresponding author); Shi, Lei; Pichler, Thomas et al.
In: Carbon, Vol. 139, 11.2018, p. 581-585.

Publications: Contribution to journal › Article › Peer Reviewed

Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil. / Mai, Sebastian; Mohamadzade, Abed; Marquetand, Philipp et al.
In: Molecules, Vol. 23, No. 11, 2836, 11.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Beyond the quasiparticle approximation: Fully self-consistent GW calculations. / Grumet, Manuel; Liu, Peitao (Corresponding author); Kaltak, Merzuk et al.
In: Physical Review B, Vol. 98, No. 15, 155143, 29.10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Conformer Selection by Matter-Wave Interference. / Brand, Christian (Corresponding author); Stickler, Benjamin A.; Knobloch, Christian et al.
In: Physical Review Letters, Vol. 121, No. 17, 173002, 23.10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems. / Mai, Sebastian (Corresponding author); Gattuso, Hugo; Monari, Antonio et al.
In: Frontiers in Chemistry, Vol. 6, 495, 17.10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Rigid-lattice Monte Carlo study of nucleation kinetics in dilute bcc Fe-Cu alloys using statistical sampling techniques. / Qin, Lin (Corresponding author); Redermeier, Alice; Dellago, Christoph et al.
In: Acta Materialia, Vol. 159, 15.10.2018, p. 429-438.

Publications: Contribution to journal › Article › Peer Reviewed

Bethe-Salpeter correlation energies of atoms and molecules. / Holzer, Christof; Gui, Xin; Harding, Michael E. et al.
In: Journal of Chemical Physics, Vol. 149, No. 14, 144106, 14.10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly. / DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J. et al.
In: Journal of the American Chemical Society, Vol. 140, No. 40, 10.10.2018, p. 13064-13070.

Publications: Contribution to journal › Article › Peer Reviewed

Cycle stability and hydration behavior of magnesium oxide and its dependence on the precursor-related particle morphology. / Gravogl, Georg; Knoll, Christian; Welch, Jan M. et al.
In: Nanomaterials, Vol. 8, No. 10, 795, 07.10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Ab initio phase diagram of PbSe crystals calculated with the random phase approximation. / Schaefer, Tobias (Corresponding author); Fan, Zhaochuan; Grünwald, Michael et al.
In: Physical Review B, Vol. 98, No. 14, 144103, 03.10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Revealing the 3D structure of graphene defects. / Hofer, Christoph; Kramberger, Christian; Monazam, Mohammad Reza Ahmadpour et al.
In: 2D Materials, Vol. 5, No. 4, 045029, 10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

2D Material Science: Defect Engineering by Particle Irradiation. / Schleberger, Marika (Corresponding author); Kotakoski, Jani.
In: Materials - Open Access Journal, Vol. 11, No. 10, 1885, 10.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure. / Smolyanyuk, Andriy (Corresponding author); Franchini, Cesare; Boeri, Lilia.
In: Physical Review B, Vol. 98, No. 11, 115158, 27.09.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Effects of Contact Angle and Flocculation of Particles of Oligomer of Tetrafluoroethylene on Oil Foaming. / Murakami, Ryo (Corresponding author); Kobayashi, Syuji; Okazaki, Manami et al.
In: Frontiers in Chemistry, Vol. 6, 435, 24.09.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Correlated excited states in the narrow band gap semiconductor FeSi and antiferromagnetic screening of local spin moments. / Khmelevskyi, Sergii (Corresponding author); Kresse, Georg; Mohn, Peter.
In: Physical Review B, Vol. 98, No. 12, 125205, 20.09.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide. / Riva, Michele; Kubicek, Markus; Hao, Xianfeng et al.
In: Nature Communications, Vol. 9, No. 1, 3710, 13.09.2018.

Publications: Contribution to journal › Article › Peer Reviewed

Carbon nanotube chirality determines properties of encapsulated linear carbon chain. / Heeg, Sebastian; Shi, Lei; Poulikakos, Lisa V. et al.
In: Nano Letters, Vol. 18, No. 9, 12.09.2018, p. 5426–5431.

Publications: Contribution to journal › Article › Peer Reviewed

Improving the multifunctional behaviour of structural supercapacitors by incorporating chemically activated carbon fibres and mesoporous silica particles as reinforcement. / Javaid, A. (Corresponding author); Ho, K. K.C.; Bismarck, A. et al.
In: Journal of Composite Materials, Vol. 52, No. 22, 01.09.2018, p. 3085-3097.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 661 - 680 out of 1271