@article{13163, author = {{Thol, Monika and Dubberke, Frithjof H. and Baumhögger, Elmar and Span, Roland and Vrabec, Jadran}}, issn = {{0021-9568}}, journal = {{Journal of Chemical & Engineering Data}}, pages = {{2533--2547}}, title = {{{Speed of Sound Measurements and a Fundamental Equation of State for Hydrogen Chloride}}}, doi = {{10.1021/acs.jced.7b01031}}, year = {{2018}}, } @article{13186, abstract = {{Ligands DMEG6etqu, TMG6etqu, DMEG6buqu, and TMG6buqu were developed on the basis of guanidine quinoline (GUAqu) ligands 1,3-dimethyl-N-(quinolin-8-yl)imidazolidin-2-imine (DMEGqu) and 1,1,3,3-tetramethyl-2-(quinolin-8-yl)guanidine (TMGqu). These ligands feature an alkyl substituent at the C6 of the quinoline backbone. The synthetic strategy developed here enables inexpensive syntheses of any kind of C6-substituted GUAqu ligands. On one hand, the alkylation increases the solubility of corresponding copper complexes in apolar atom transfer radical polymerization (ATRP) monomers like styrene. On the other hand, it has a significant electronic influence and thus an effect on the donor properties of the new ligands. Seven CuI and CuII complexes of DMEG6etqu and TMG6etqu have been crystallized and were studied with regard to their structural and electrochemical properties. CuI and CuII complexes of DMEG6buqu and TMG6buqu turned out to be perfectly soluble in pure styrene even at room temperature, which makes them excellent catalysts in the ATRP of apolar monomers. The key characteristics of the ATRP equilibrium, KATRP and kact, were determined for the new complexes. In addition, we used our recently developed DFT methodology, NBO analysis, and isodesmic reactions to predict the influence of the introduced alkyl substituents. It turned out that high conformational freedom in the complex structures leads to a significant uncertainty in prediction of the thermodynamic properties.}}, author = {{Rösener, Thomas and Hoffmann, Alexander and Herres-Pawlis, Sonja}}, journal = {{European Journal of Inorganic Chemistry}}, keywords = {{Copper, Polymerization, Redox chemistry, Structure elucidation, Ligand effects}}, number = {{27}}, pages = {{3164--3175}}, title = {{{Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility}}}, doi = {{10.1002/ejic.201800511}}, volume = {{2018}}, year = {{2018}}, } @inproceedings{13201, author = {{Trier, Matthias and Jensen, Christopher}}, booktitle = {{The 26th European Conference on Information Systems (ECIS)}}, location = {{Portsmouth}}, title = {{{SOCIAL MEDIA MANAGEMENT METRICS FOR BUSINESS ANALYTICS–INVESTIGATING MANAGERIAL CHALLENGES}}}, year = {{2018}}, } @article{13248, author = {{Tierney, Kevin and Ehmke, Jan Fabian and Campbell, Ann Melissa and Müller, Daniel}}, issn = {{1936-6582}}, journal = {{Flexible Services and Manufacturing Journal}}, pages = {{620--652}}, title = {{{Liner Shipping Single Service Design Problem with Arrival Time Service Levels}}}, doi = {{10.1007/s10696-018-9325-y}}, year = {{2018}}, } @inproceedings{13249, abstract = {{We revisit algorithm selection for declarative programming solvers. We introduce two main ideas to improve cost-sensitive hierarchical clustering: First, to augment the portfolio builder with a self-configuration component. And second, we propose that the algorithm selector assesses the confidence level of its own prediction, so that a more defensive recourse action can be used to overturn the original recommendation.}}, author = {{Ansotegui, Carlos and Sellmann, Meinolf and Tierney, Kevin}}, booktitle = {{Principles and Practice of Constraint Programming}}, editor = {{Hooker, John}}, isbn = {{978-3-319-98334-9}}, pages = {{524--534}}, publisher = {{Springer International Publishing}}, title = {{{Self-configuring Cost-Sensitive Hierarchical Clustering with Recourse}}}, year = {{2018}}, } @article{1327, author = {{Weber, N. and Hoffmann, S. P. and Albert, M. and Zentgraf, Thomas and Meier, Cedrik}}, issn = {{0021-8979}}, journal = {{Journal of Applied Physics}}, number = {{10}}, publisher = {{AIP Publishing}}, title = {{{Efficient frequency conversion by combined photonic–plasmonic mode coupling}}}, doi = {{10.1063/1.5017010}}, volume = {{123}}, year = {{2018}}, } @article{13275, author = {{Mausbach, Peter and Köster, Andreas and Vrabec, Jadran}}, journal = {{Phys. Rev. E}}, number = {{5}}, pages = {{052149}}, publisher = {{American Physical Society}}, title = {{{Liquid State Isomorphism, Rosenfeld-Tarazona Temperature Scaling, and Riemannian Thermodynamic Geometry}}}, doi = {{10.1103/PhysRevE.97.052149}}, volume = {{97}}, year = {{2018}}, } @article{13291, author = {{Zargaleh, S. A. and von Bardeleben, H. J. and Cantin, J. L. and Gerstmann, Uwe and Hameau, S. and Ebl\'e, B. and Gao, Weibo}}, journal = {{Phys. Rev. B}}, number = {{21}}, pages = {{214113}}, publisher = {{American Physical Society}}, title = {{{Electron Paramagnetic Resonance Tagged High-Resolution Excitation Spectroscopy of NV-Centers in 4H-SiC}}}, doi = {{10.1103/PhysRevB.98.214113}}, volume = {{98}}, year = {{2018}}, } @inproceedings{13305, author = {{Trier, Matthias and Jensen, Christoffer}}, title = {{{SOCIAL MEDIA MANAGEMENT METRICS FOR BUSINESS ANALYTICS-INVESTIGATING MANAGERIAL CHALLENGES}}}, year = {{2018}}, } @article{13439, author = {{Camberg, Alan Adam and Bohner, F and Tölle, J and Schneidt, A and Meiners, S and Tröster, Thomas}}, issn = {{1757-899X}}, journal = {{IOP Conference Series: Materials Science and Engineering}}, title = {{{Formability enhancement of EN AW-5182 H18 aluminum alloy sheet metal parts in a flash forming process: testing, calibration and evaluation of fracture models}}}, doi = {{10.1088/1757-899x/418/1/012018}}, year = {{2018}}, } @article{10005, author = {{Ju, X. and Mahnken, R.}}, issn = {{0029-5981}}, journal = {{International Journal for Numerical Methods in Engineering}}, pages = {{472--473}}, title = {{{Goal-oriented adaptivity for linear elastic micromorphic continua based on primal and adjoint consistency analysis}}}, doi = {{10.1002/nme.5996}}, year = {{2018}}, } @article{10009, author = {{Caylak, I. and Dridger, A. and Mahnken, R.}}, journal = {{Computational Mechanics}}, number = {{6}}, pages = {{1273--1285}}, title = {{{"Stochastic hyperelastic modeling considering dependency of material parameters"}}}, volume = {{62}}, year = {{2018}}, } @article{10013, abstract = {{Ultrafast nonequilibrium dynamics offer a route to study the microscopic interactions that govern macroscopic behavior. In particular, photoinduced phase transitions (PIPTs) in solids provide a test case for how forces, and the resulting atomic motion along a reaction coordinate, originate from a nonequilibrium population of excited electronic states. Using femtosecond photoemission, we obtain access to the transient electronic structure during an ultrafast PIPT in a model system: indium nanowires on a silicon(111) surface. We uncover a detailed reaction pathway, allowing a direct comparison with the dynamics predicted by ab initio simulations. This further reveals the crucial role played by localized photoholes in shaping the potential energy landscape and enables a combined momentum- and real-space description of PIPTs, including the ultrafast formation of chemical bonds.}}, author = {{Nicholson, C. W. and Lücke, A. and Schmidt, Wolf Gero and Puppin, M. and Rettig, L. and Ernstorfer, R. and Wolf, M.}}, issn = {{0036-8075}}, journal = {{Science}}, pages = {{821--825}}, title = {{{Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition}}}, doi = {{10.1126/science.aar4183}}, year = {{2018}}, } @article{10016, author = {{Paszkiewicz, Mateusz and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls, Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and Gerstmann, Uwe and Klappenberger, Florian}}, issn = {{1948-7185}}, journal = {{The Journal of Physical Chemistry Letters}}, pages = {{6412--6420}}, title = {{{Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis}}}, doi = {{10.1021/acs.jpclett.8b02525}}, year = {{2018}}, } @article{10019, author = {{Aldahhak, Hazem and Paszkiewicz, M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang, Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and Koch, R. and Schmidt, Wolf Gero and Barth, J. V. and Schöfberger, W. and Müllegger, S. and Klappenberger, F. and Gerstmann, Uwe}}, issn = {{0947-6539}}, journal = {{Chemistry - A European Journal}}, pages = {{6787--6797}}, title = {{{Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)}}}, doi = {{10.1002/chem.201705921}}, year = {{2018}}, } @inproceedings{10097, author = {{Ju, X. and Mahnken, R.}}, booktitle = {{31st International Workshop on Research in Mechnanics of Composite}}, location = {{Bad Herrenalb}}, title = {{{„Goal-oriented adaptivity on mean-field and full-field homogenization methods with a view to hierarchical unit cells“}}}, year = {{2018}}, } @inproceedings{10098, author = {{Dridger, A. and Caylak, I. and Mahnken, R. and Penner, E.}}, booktitle = {{13th World Congress in Computational Mechanics }}, location = {{New York}}, title = {{{„On the connection between possibility theory and probability box theory in structural mechanics“}}}, year = {{2018}}, } @inproceedings{10099, author = {{Lenz, P. and M, R.}}, booktitle = {{31st International Workshop on Research in Mechnanics of Composite}}, location = {{Bad Herrenalb}}, title = {{{„Mean-field homogenization of multi-layered thermo-chemo-elastic composites including damage“}}}, year = {{2018}}, } @article{10100, author = {{Penner, Eduard and Caylak, Ismail and Dridger, Alex and Mahnken, Rolf}}, issn = {{1617-7061}}, journal = {{PAMM}}, title = {{{"Possibilistic and stochastic analysis using for rubber-like materials"}}}, doi = {{10.1002/pamm.201800153}}, year = {{2018}}, } @article{10109, author = {{Caylak, Ismail and Penner, Eduard and Dridger, Alex and Mahnken, Rolf}}, issn = {{1617-7061}}, journal = {{PAMM}}, title = {{{"A fuzzy-stochastic model for transversely fiber reinforced plastics"}}}, doi = {{10.1002/pamm.201800121}}, year = {{2018}}, }