@article{1448, author = {{Pelster, Matthias and Vilsmeier, Johannes}}, issn = {{1380-6645}}, journal = {{Review of Derivatives Research}}, number = {{1}}, pages = {{63--118}}, publisher = {{Springer Nature}}, title = {{{The determinants of CDS spreads: evidence from the model space}}}, doi = {{10.1007/s11147-017-9134-6}}, volume = {{21}}, year = {{2017}}, } @article{1452, abstract = {{Opinion leaders of an investment network can have a significant impact on capital mar-kets because their investment decisions are adopted by their peers and trigger large trad-ing cascades, increasing herding behavior and comovement among stock returns. This paper analyzes the interaction-based relations of traders from a large social trading plat-form and identifies the driving forces and the opinion leaders within a large online trading network as the nodes with the highest centrality and the highest force of infection, respec-tively. Relying on recent insights from epidemiological research, I maintain that central-ity identifies the most central traders in the network, while the expected force quantifies the most influential traders and their spreading power. I study the behavior and charac-teristics that set central and influential traders apart from other traders. The ability to identify focal points and their trading behavior within a trading network is important for investors, investment advisers, and policy makers.}}, author = {{Pelster, Matthias}}, journal = {{Proceedings of the International Conference on Information Systems}}, keywords = {{Online trading, investment advice, network modeling, Expected Force, herding.}}, title = {{{I’ll Have What S/he’s Having: A Case Study of a Social Trading Network}}}, year = {{2017}}, } @inproceedings{13156, abstract = {{Liner carriers change their network on a regular basis, and they are therefore interested in a practical evaluation of the impact these changes have on the cargo flows in their networks. Despite great advancements in the practical applicability of network evaluators in recent years, vessel deployment continues to be considered as an input into the problem, rather than a decision. In this paper, we propose an extension of a state-of-the-art mixed integer programming model for the LSCAP that incorporates the optimization of vessel count and vessel classes for each service. We perform a computational analysis on liner shipping networks of different sizes and compare our optimized results to fixed deployment scenarios. By integrating fleet deployment decisions into the cargo allocation problem, liner carriers can increase the profitability of their networks by at least 2.8 to 16.9{\%} and greatly enhance their decision making.}}, author = {{Müller, Daniel and Guericke, Stefan and Tierney, Kevin}}, booktitle = {{Computational Logistics}}, editor = {{Bektac, Tolga and Coniglio, Stefano and Martinez-Sykora, Antonio and Voß, Stefan}}, isbn = {{978-3-319-68496-3}}, pages = {{306--320}}, publisher = {{Springer International Publishing}}, title = {{{Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem}}}, year = {{2017}}, } @inproceedings{13157, author = {{Ansotegui, Carlos and Pon, Josep and Sellmann, Meinolf and Tierney, Kevin}}, booktitle = {{AAAI}}, pages = {{765--772}}, title = {{{Reactive Dialectic Search Portfolios for MaxSAT.}}}, year = {{2017}}, } @article{13161, author = {{Dubberke, Frithjof H. and Linnemann, Matthias and Abbas, Wameedh Khider and Baumhögger, Elmar and Priebe, Klaus-Peter and Roedder, Maximilian and Neef, Matthias and Vrabec, Jadran}}, issn = {{1359-4311}}, journal = {{Applied Thermal Engineering}}, pages = {{958--964}}, title = {{{Experimental setup of a cascaded two-stage organic Rankine cycle}}}, doi = {{10.1016/j.applthermaleng.2017.11.137}}, year = {{2017}}, } @article{13162, author = {{Nikolaychuk, Pavel Anatolyevich and Linnemann, Matthias and Muñoz-Muñoz, Y. Mauricio and Baumhögger, Elmar and Vrabec, Jadran}}, issn = {{0366-7022}}, journal = {{Chemistry Letters}}, pages = {{990--991}}, title = {{{Experimental and Computational Study on the Solubility of Argon in Propan-2-ol at High Temperatures}}}, doi = {{10.1246/cl.170221}}, year = {{2017}}, } @article{13187, abstract = {{Abstract The reaction of Cu(I) bisguanidine complexes with nitric oxide and the formation of intermediate species were monitored via UV-vis spectroscopy at low temperature, with the occurrence of characteristic absorption bands. The origin of the emerging species and their character were substantiated by electron paramagnetic resonance (EPR) measurements and density functional theory (DFT) studies showing a delocalized {CuNO}11 radical species. Furthermore, this system was transferred to the SuperFocus mixer setup, which allows rapid mixing and the determination of decay constants at ambient temperatures of the thermally sensitive species. However, these experiments demonstrated the limits of these systems, such as the NO saturation in organic solvents and a preferably precise temperature control within the SuperFocus mixer, which should be addressed in the future.}}, author = {{Oppermann, Alexander and Laurini, Larissa and Etscheidt, Fabian and Hollmann, Katharina and Strassl, Florian and Hoffmann, Alexander and Schurr, Daniela and Dittmeyer, Roland and Rinke, Günter and Herres-Pawlis, Sonja}}, journal = {{Chemical Engineering \& Technology}}, keywords = {{Copper guanidine complexes, Nitric oxide, SuperFocus mixer}}, number = {{8}}, pages = {{1475--1483}}, title = {{{Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer}}}, doi = {{10.1002/ceat.201600691}}, volume = {{40}}, year = {{2017}}, } @article{13200, author = {{Gruzberg, Ilya and Klümper, Andreas and Nuding, Win and Sedrakyan, Ara}}, journal = {{Phys. Rev. B}}, pages = {{125414}}, publisher = {{American Physical Society}}, title = {{{Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions}}}, doi = {{10.1103/PhysRevB.95.125414}}, volume = {{95}}, year = {{2017}}, } @article{13238, abstract = {{A numerically efficient yet highly accurate implementation of the crystal orbital Hamilton population (COHP) scheme for plane-wave calculations is presented. It is based on the projector-augmented wave (PAW) formalism in combination with norm-conserving pseudopotentials and allows to extract chemical interactions between atoms from band-structure calculations even for large and complex systems. The potential of the present COHP implementation is demonstrated by an in-depth analysis of the intensively investigated metal-insulator transition in atomic-scale indium wires self-assembled on the Si(111) surface. Thereby bond formation between In atoms of adjacent zigzag chains is found to be instrumental for the phase change. © 2017 Wiley Periodicals, Inc.}}, author = {{Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf G.}}, journal = {{Journal of Computational Chemistry}}, keywords = {{density functional theory, bonding, crystal orbital Hamilton population, indium nanowires, phase transition}}, number = {{26}}, pages = {{2276--2282}}, title = {{{Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition}}}, doi = {{10.1002/jcc.24878}}, volume = {{38}}, year = {{2017}}, } @article{13239, author = {{Azadi, Sam and Kühne, Thomas D.}}, journal = {{The Journal of Chemical Physics}}, number = {{8}}, pages = {{084503}}, title = {{{High-pressure hydrogen sulfide by diffusion quantum Monte Carlo}}}, doi = {{10.1063/1.4976836}}, volume = {{146}}, year = {{2017}}, } @article{13242, abstract = {{Initial state-selected reaction probabilities for the H+CH4→H2+CH3 reaction on a recently developed potential energy surface which employs neutral network fitting based on permutational invariant polynomials are reported. The quantum dynamics calculations use the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and study the reaction process in full-dimensionality for vanishing total angular momentum. A detailed comparison with previous results obtained on other high-level potential energy surfaces is given. The connection between the level of quantum state resolution and the sensitivity of the results on differences in the potential energy surfaces is highlighted. Employing a decomposition of the total reactivity into contributions of the different vibrational states of the activated complex, it is found that differences between the potential energy surfaces are mainly related to the umbrella motion of the methyl group.}}, author = {{Ellerbrock, Roman and Manthe, Uwe}}, issn = {{0301-0104}}, journal = {{Chemical Physics}}, pages = {{106 -- 112}}, title = {{{H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces}}}, doi = {{https://doi.org/10.1016/j.chemphys.2016.08.032}}, volume = {{482}}, year = {{2017}}, } @article{13276, author = {{Rutkai, Gábor and Köster, Andreas and Guevara-Carrion, Gabriela and Janzen, Tatjana and Schappals, Michael and Glass, Colin W. and Bernreuther, Martin and Wafai, Amer and Stephan, Simon and Kohns, Maximilian and Reiser, Steffen and Deublein, Stephan and Horsch, Martin and Hasse, Hans and Vrabec, Jadran}}, issn = {{0010-4655}}, journal = {{Computer Physics Communications}}, pages = {{343--351}}, title = {{{ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0}}}, doi = {{10.1016/j.cpc.2017.07.025}}, volume = {{221}}, year = {{2017}}, } @article{13277, author = {{Köster, Andreas and Mausbach, Peter and Vrabec, Jadran}}, journal = {{The Journal of Chemical Physics}}, number = {{14}}, pages = {{144502}}, title = {{{Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential}}}, doi = {{10.1063/1.4990667}}, volume = {{147}}, year = {{2017}}, } @article{13278, author = {{Fingerhut, Robin and Chen, Wei-Lin and Schedemann, Andre and Cordes, Wilfried and Rarey, Jürgen and Hsieh, Chieh-Ming and Vrabec, Jadran and Lin, Shiang-Tai}}, journal = {{Industrial & Engineering Chemistry Research}}, number = {{35}}, pages = {{9868--9884}}, title = {{{Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria}}}, doi = {{10.1021/acs.iecr.7b01360}}, volume = {{56}}, year = {{2017}}, } @article{13279, author = {{Schappals, Michael and Mecklenfeld, Andreas and Kröger, Leif and Botan, Vitalie and Köster, Andreas and Stephan, Simon and García, Edder J. and Rutkai, Gabor and Raabe, Gabriele and Klein, Peter and Leonhard, Kai and Glass, Colin W. and Lenhard, Johannes and Vrabec, Jadran and Hasse, Hans}}, journal = {{Journal of Chemical Theory and Computation}}, number = {{9}}, pages = {{4270--4280}}, title = {{{Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom}}}, doi = {{10.1021/acs.jctc.7b00489}}, volume = {{13}}, year = {{2017}}, } @article{13280, author = {{Muñoz-Muñoz, Y. Mauricio and Hsieh, Chieh-Ming and Vrabec, Jadran}}, journal = {{The Journal of Physical Chemistry B}}, number = {{21}}, pages = {{5374--5384}}, title = {{{Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms}}}, doi = {{10.1021/acs.jpcb.7b02494}}, volume = {{121}}, year = {{2017}}, } @article{13281, author = {{Rutkai, Gábor and Thol, Monika and Span, Roland and Vrabec, Jadran}}, journal = {{Molecular Physics}}, number = {{9-12}}, pages = {{1104--1121}}, publisher = {{Taylor & Francis}}, title = {{{How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?}}}, doi = {{10.1080/00268976.2016.1246760}}, volume = {{115}}, year = {{2017}}, } @article{13290, author = {{Bouldi, N. and Vollmers, N. J. and Delpy-Laplanche, C. G. and Joly, Y. and Juhin, A. and Sainctavit, Ph. and Brouder, Ch. and Calandra, M. and Paulatto, L. and Mauri, F. and Gerstmann, Uwe}}, journal = {{Physical Review B}}, number = {{8}}, pages = {{085123}}, publisher = {{American Physical Society}}, title = {{{X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra}}}, doi = {{10.1103/physrevb.96.085123}}, volume = {{96}}, year = {{2017}}, } @inproceedings{13306, abstract = {{Enterprise Social Networks (ESNs), d. h. Informationssysteme, die die Vernetzung von Mitarbeitern in Unternehmen f{\"o}rdern sollen, sind in verschiedenen Varianten und unter verschiedenen Bezeichnungen (etwa Enterprise Social Media, Corporate Social Software, Social Business oder Enterprise 2.0) bereits seit etwa gut einem Jahrzehnt auf dem Markt. Dennoch erfreuen sie sich erst seit den letzten Jahren steigender Beliebtheit und halten ebenfalls nach und nach fl{\"a}chendeckenden Einzug in Gro{\ss}unternehmen wie Siemens, Daimler oder Deutsche Telekom. Um mit dem Gartner »Hype Cycle« zu argumentieren: Das Thema ESN hat die Spitze des Hypes l{\"a}ngst {\"u}berschritten, das »Tal der Entt{\"a}uschungen« durchschritten und n{\"a}hert sich nun zunehmend dem »Plateau der Produktivit{\"a}t«. Motivation genug, um sich anhand einiger ausgew{\"a}hlter Fallbeispiele mit ESNs genauer auseinanderzusetzen.}}, author = {{Winkler, Till J. and Trier, Matthias}}, booktitle = {{Tools revisited – Rationalität und Kreativität durch Management-Tools?}}, pages = {{20--27}}, publisher = {{Daimler und Benz Stiftung}}, title = {{{Enterprise Social Networks: Neue Tools für das Informations und Wissensmanagement}}}, year = {{2017}}, } @inproceedings{13307, author = {{Richter, Shahper and Trier, Matthias and Richter, Alexander}}, title = {{{Value Co-creation in the Digital Factory: The Empowered Role of Shop Floor Workers}}}, year = {{2017}}, }