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Hinweis: Bitte benachrichtigen Sie uns per E-Mail via publicationsRec0∂bwhpc-c5 de, falls Sie für ihre Publikation oder veröffentlichte Arbeiten bwHPC-Ressourcen (d.h. bwUniCluster, bwForCluster, pre-bwForCluster, bwGRiD) genutzt haben. Vielen Dank.


Folgende Publikationen wurden mithilfe der bwHPC-Cluster (bwUniCluster, bwForCluster, pre-bwForCluster, bwGRiD) seit Ende 2013 erreicht:


Anger, F. R.; Cordero, F. F.; Ita, H. & Sotnikov, V. (2018) NLO QCD predictions for Wbb‾ production in association with up to three light jets at the LHC Physical Review D 97 036018 , American Physical Society (APS) [DOI]

Bâldea, I. (2018) Specific issues related to the law of corresponding states for the charge transport in molecular junctions based on graphene electrodes Applied Surface Science , Elsevier BV [DOI] [URL]

Burger, C.; Maindl, T. I. & Schäfer, C. M. (2018) Transfer, loss and physical processing of water in hit-and-run collisions of planetary embryos Celestial Mechanics and Dynamical Astronomy 130 2 , Springer Netherlands [DOI] [URL]

El-Gabbas, A. & Dormann, C. F. (2018) Wrong, but useful: regional species distribution models may not be improved by range-wide data under biased sampling Ecology and Evolution , Wiley-Blackwell [DOI] [URL]

de Forges de Parny, L. & Rousseau, V. G. (2018) Phase diagrams of antiferromagnetic spin-1 bosons on a square optical lattice with the quadratic Zeeman effect Physical Review A 97 , American Physical Society (APS) [DOI] [URL]

Gallinaro, J. V. & Rotter, S. (2018) Associative properties of structural plasticity based on firing rate homeostasis in recurrent neuronal networks Scientific Reports 8 , Springer Nature [DOI]

Gebhardt, J.; Kleist, C.; Jakobtorweihen, S. & Hansen, N. (2018) Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution The Journal of Physical Chemistry B 122 1608-1626 , American Chemical Society (ACS) [DOI] [URL]

Gieseke, S.; Kirchgaeßer, P. & Plätzer, S. (2018) Baryon production from cluster hadronisation The European Physical Journal C 78 , Springer Nature [DOI]

Grandl, M.; Sun, Y. & Pammer, F. (2018) Electronic and structural properties of N → B-ladder boranes with high electron affinity Organic Chemistry Frontiers 5 336-352 , Royal Society of Chemistry (RSC) [DOI] [URL]

Grenz, D. C.; Schmidt, M.; Kratzert, D. & Esser, B. (2018) Dibenzo[a,e]pentalenes with Low-Lying LUMO Energy Levels as Potential n-Type Materials The Journal of Organic Chemistry 83 656-663 , American Chemical Society (ACS) [DOI] [URL]

Grimm, J. & Dolgushev, M. (2018) Dynamics of networks in a viscoelastic and active environment Soft Matter 14 1171-1180 , Royal Society of Chemistry (RSC) [DOI]

Härtel, A.; Richard, D. & Speck, T. (2018) Three-body correlations and conditional forces in suspensions of active hard disks Physical Review E 97 , American Physical Society (APS) [DOI]

Holub, D.; Ma, H.; Krauß, N.; Lamparter, T.; Elstner, M. & Gillet, N. (2018) Functional role of an unusual tyrosine residue in the electron transfer chain of a prokaryotic (6–4) photolyase Chemical Science 9 1259-1272 , Royal Society of Chemistry (RSC) [DOI] [URL]

Hoyer, D.; Rauch., T.; Werner, K. & Kruk, J. W. (2018) Search for trans-iron elements in hot, helium-rich white dwarfs with the HST Cosmic Origins Spectrograph eprint arXiv:1801.02414 [URL]

Jäger, J.; Schraff, S. & Pammer, F. (2018) Synthesis, Properties, and Solar Cell Performance of Poly(4-(p -alkoxystyryl)thiazole)s Macromolecular Chemistry and Physics 1700496 , Wiley-Blackwell [DOI] [URL]

Jäger, P.; Brendle, K.; Schneider, E.; Kohaut, S.; Armbruster, M. K.; Fink, K.; Weis, P. & Kappes, M. M. (2018) Photodissociation of Free Metalloporphyrin Dimer Multianions The Journal of Physical Chemistry A , American Chemical Society (ACS) [DOI] [URL]

Kohn, L.; Tschirsich, F.; Keck, M.; Plenio, M. B.; Tamascelli, D. & Montangero, S. (2018) Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states Physical Review E 97 , American Physical Society (APS) [DOI] [URL]

Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P. & Wesemann, L. (2018) Coordination chemistry of stannylene-based Lewis pairs – insertion into M–Cl and M–C bonds. From base stabilized stannylenes to bidentate ligands Dalton Transactions 47 83-95 , Royal Society of Chemistry (RSC) [DOI] [URL]

Kretschmer, D.; Leszczensky, L. & Pink, S. (2018) Selection and influence processes in academic achievement—More pronounced for girls? Social Networks 52 251-260 , Elsevier BV [DOI] [URL]

Lehrer, R. & Schumacher, G. (2018) Governator vs. Hunter and Aggregator: A simulation of party competition with vote-seeking and office-seeking rules PloS one 13 e0191649 , Public Library of Science [DOI]

Leszczensky, L. (2018) Young immigrants' host country identification and their friendships with natives: Does relative group size matter? Social Science Research 70 163-175 , Elsevier BV [DOI] [URL]

Maskey, R.; Schädler, M.; Legler, C. & Greb, L. (2018) Bis(perchlorocatecholato)silane-A Neutral Silicon Lewis Super Acid Angewandte Chemie International Edition 57 1717-1720 , Wiley-Blackwell [DOI] [URL]

Morita, T.; Damjanović, M.; Katoh, K.; Kitagawa, Y.; Yasuda, N.; Lan, Y.; Wernsdorfer, W.; Breedlove, B. K.; Enders, M. & Yamashita, M. (2018) Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement Journal of the American Chemical Society , American Chemical Society (ACS) [DOI] [URL]

Ott, J. C.; Blasius, C. K.; Wadepohl, H. & Gade, L. H. (2018) Synthesis, Characterization, and Reactivity of a High-Spin Iron(II) Hydrido Complex Supported by a PNP Pincer Ligand and Its Application as a Homogenous Catalyst for the Hydrogenation of Alkenes Inorganic Chemistry 57 3183-3191 , American Chemical Society (ACS) [DOI] [URL]

Piatkowski, M.; Müthing, S. & Bastian, P. (2018) A stable and high-order accurate discontinuous Galerkin based splitting method for the incompressible Navier--Stokes equations Journal of Computational Physics 356 220-239 , Elsevier [DOI]

Plessow, P. N. (2018) Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans Journal of Chemical Theory and Computation 14 981-990 , American Chemical Society (ACS) [DOI] [URL]

Radecke, S.; Schwarz, K. & Radecke, F. (2018) Genome-wide Mapping of Off-Target Events in Single-Stranded Oligodeoxynucleotide-Mediated Gene Repair Experiments Molecular Therapy 26 115-131 , Elsevier BV [DOI] [URL]

Reinartz, I.; Sinner, C.; Nettels, D.; Stucki-Buchli, B.; Stockmar, F.; Panek, P. T.; Jacob, C. R.; Nienhaus, G. U.; Schuler, B. & Schug, A. (2018) Simulation of FRET dyes allows quantitative comparison against experimental data The Journal of Chemical Physics 148 123321 , AIP Publishing [DOI] [URL]

Scheurer, M.; Rodenkirch, P.; Siggel, M.; Bernardi, R. C.; Schulten, K.; Tajkhorshid, E. & Rudack, T. (2018) PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations Biophysical journal 114 577-583 , Elsevier [DOI]

Schulz-Fincke, J.; Hau, M.; Barth, J.; Robaa, D.; Willmann, D.; Kürner, A.; Haas, J.; Greve, G.; Haydn, T.; Fulda, S.; Lübbert, M.; Lüdeke, S.; Berg, T.; Sippl, W.; Schüle, R. & Jung, M. (2018) Structure-activity studies on N -Substituted tranylcypromine derivatives lead to selective inhibitors of lysine specific demethylase 1 (LSD1) and potent inducers of leukemic cell differentiation European Journal of Medicinal Chemistry 144 52-67 , Elsevier BV [DOI] [URL]

Schwarz, H.; Bertsch, V. & Fichtner, W. (2018) Two-stage stochastic, large-scale optimization of a decentralized energy system : a case study focusing on solar PV, heat pumps and storage in a residential quarter Operations Research-Spektrum 40 265-310 [DOI]

Schwarz, H.; Schermeyer, H.; Bertsch, V. & Fichtner, W. (2018) Self-consumption through power-to-heat and storage for enhanced PV integration in decentralised energy systems Solar Energy, Elsevier 150–161 , Elsevier [DOI] [URL]

Smith, C. E.; Xie, Z.; Bâldea, I. & Frisbie, C. D. (2018) Work function and temperature dependence of electron tunneling through an N-type perylene diimide molecular junction with isocyanide surface linkers Nanoscale 10 964-975 , Royal Society of Chemistry (RSC) [DOI] [URL]

Sormani, M. C.; Treß, R. G.; Ridley, M.; Glover, S. C. O.; Klessen, R. S.; Binney, J.; Magorrian, J. & Smith, R. (2018) A theoretical explanation for the Central Molecular Zone asymmetry Monthly Notices of the Royal Astronomical Society 475 2383-2402 [DOI]

Uhlig, F.; Zeman, J.; Smiatek, J. & Holm, C. (2018) First-Principles Parametrization of Polarizable Coarse-Grained Force Fields for Ionic Liquids Journal of Chemical Theory and Computation , American Chemical Society (ACS) [DOI]

Vogel, P.; Knippertz, P.; Fink, A. H.; Schlueter, A. & Gneiting, T. (2018) Skill of Global Raw and Postprocessed Ensemble Predictions of Rainfall over Northern Tropical Africa Weather and Forecasting 33 369-388 , American Meteorological Society [DOI] [URL]

Waibel, C.; Stierle, R. & Gross, J. (2018) Transferability of cross-interaction pair potentials: Vapor-liquid phase equilibria of n-alkane/nitrogen mixtures using the TAMie force field Fluid Phase Equilibria 456 124-130 , Elsevier BV [DOI] [URL]

Weidler, D. & Gross, J. (2018) Individualized force fields for alkanes, olefins, ethers and ketones based on the transferable anisotropic Mie potential Fluid Phase Equilibria , Elsevier BV [DOI] [URL]


Abdi, M.; Hwang, M.-J.; Aghtar, M. & Plenio, M. B. (2017) Spin-Mechanical Scheme with Color Centers in Hexagonal Boron Nitride Membranes Physical Review Letters 119 , American Physical Society (APS) [DOI] [URL]

Abreu, S.; Cordero, F. F.; Ita, H.; Jaquier, M. & Page, B. (2017) Subleading poles in the numerical unitarity method at two loops Physical Review D 95 , American Physical Society (APS) [DOI] [URL]

Abreu, S.; Cordero, F. F.; Ita, H.; Jaquier, M.; Page, B. & Zeng, M. (2017) Two-Loop Four-Gluon Amplitudes from Numerical Unitarity Physical Review Letters 119 , American Physical Society (APS) [DOI] [URL]

Akhremtsev, Y.; Heuer, T.; Sanders, P. & Schlag, S. (2017) Engineering a direct k-way Hypergraph Partitioning Algorithm 2017 Proceedings of the Ninteenth Workshop on Algorithm Engineering and Experiments (ALENEX), , Society for Industrial and Applied Mathematics [DOI] [URL]

Altenkamp, L.; Dittmaier, S. & Rzehak, H. (2017) Renormalization schemes for the Two-Higgs-Doublet Model and applications to h -> WW/ZZ -> 4fermions [DOI]

Álvarez-Barcia, S. & Kästner, J. (2017) Atom Tunneling in the Hydroxylation Process of Taurine/α-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations The Journal of Physical Chemistry B 121 5347-5354 [DOI] [URL]

Anathpindika, S.; Burkert, A. & Kuiper, R. (2017) On the impact of the magnitude of Interstellar pressure on physical properties of Molecular Cloud Monthly Notices of the Royal Astronomical Society stx006 , Oxford University Press (OUP) [DOI] [URL]

Anjass, M. H.; Kastner, K.; Nägele, F.; Ringenberg, M.; Boas, J. F.; Zhang, J.; Bond, A. M.; Jacob, T. & Streb, C. (2017) Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochvalenten molekularen Vanadium(V)-Oxid-Cluster Angewandte Chemie 129 14944-14947 , Wiley-Blackwell [DOI] [URL]

Anjass, M. H.; Kastner, K.; Nägele, F.; Ringenberg, M.; Boas, J. F.; Zhang, J.; Bond, A. M.; Jacob, T. & Streb, C. (2017) Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster Angewandte Chemie International Edition 56 14749-14752 , Wiley-Blackwell [DOI] [URL]

Aponte-Santamaría, C.; Brunken, J. & Gräter, F. (2017) Stress propagation through biological lipid bilayers in silico Journal of the American Chemical Society 139 13588-13591 , ACS Publications [DOI]

Baglio, J. (2017) Gluon fusion and b b-bar corrections to HW+W−/HZZ production in the POWHEG-BOX Physics Letters B 764 54–59 , Elsevier BV [DOI] [URL]

Baglio, J.; Dawson, S. & Lewis, I. M. (2017) NLO QCD effective field theory analysis of WmathplusW- production at the LHC including fermionic operators Physical Review D 96 , American Physical Society (APS) [DOI]

Bâldea, I. (2017) A surprising way to control the charge transport in molecular electronics: the subtle impact of the coverage of SAM of floppy molecules adsorbed on electrodes Faraday Discuss. , Royal Society of Chemistry (RSC) [DOI] [URL]

Bâldea, I. (2017) Floppy molecules as candidates for achieving optoelectronic molecular devices without skeletal rearrangement or bond breaking Physical Chemistry Chemical Physics 19 30842-30851 , Royal Society of Chemistry (RSC) [DOI] [URL]

Bâldea, I. (2017) Important issues related to the law of corresponding states for the charge transport in molecular junctions with graphene electrodes Organic Electronics 49 19-23 , Elsevier BV [DOI] [URL]

Bâldea, I. (2017) Protocol for disentangling the thermally activated contribution to the tunneling-assisted charge transport. Analytical results and experimental relevance Physical Chemistry Chemical Physics 19 11759–11770 , Royal Society of Chemistry (RSC) [DOI] [URL]

Bâldea, I. (2017) Scaling Properties and Related Issues in the Charge Transport through Molecular Junctions Materials Today: Proceedings 4 [DOI] [URL]

Bâldea, I. (2017) Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against ab Initio Calculations The Journal of Physical Chemistry A 121 2282-2287 , American Chemical Society (ACS) [DOI] [URL]

Belyanchikov, M. A.; Zhukova, E. S.; Tretiak, S.; Zhugayevych, A.; Dressel, M.; Uhlig, F.; Smiatek, J.; Fyta, M. T. V. G. & Gorshunovab B., P. (2017) Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments Physical Chemistry Chemical Physics [DOI] [URL]

Berger, T.; Troost, C.; Wossen, T.; Latynskiy, E.; Tesfaye, K. & Gbegbelegbe, S. (2017) Can smallholder farmers adapt to climate variability, and how effective are policy interventions? Agent-based simulation results for Ethiopia Agricultural Economics 48 693-706 , Wiley-Blackwell [DOI] [URL]

Berges, J.; Boguslavski, K.; Chatrchyan, A. & Jaeckel, J. (2017) Attractive versus repulsive interactions in the Bose-Einstein condensation dynamics of relativistic field theories Physical Review D 96 , American Physical Society (APS) [DOI] [URL]

Berges, J. & Wallisch, B. (2017) Nonthermal fixed points in quantum field theory beyond the weak-coupling limit Physical Review D 95 , American Physical Society (APS) [DOI] [URL]

Bermejo, J. L.; Boekstegers, F.; Silos, R. G.; Marcelain, K.; Benavides, P. B.; Ponce, C. B.; Müller, B.; Ferreccio, C.; Koshiol, J.; Fischer, C. & others (2017) Subtypes of Native American ancestry and leading causes of death: Mapuche ancestry-specific associations with gallbladder cancer risk in Chile PLoS genetics 13 , Public Library of Science [DOI]

Bettinger, H. F.; Einholz, R.; Göttler, A.; Junge, M.; Sättele, M.-S.; Schnepf, A.; Schrenk, C.; Schundelmeier, S. & Speiser, B. (2017) 6,6′,11,11′-Tetra((triisopropylsilyl)ethynyl)-anti-[2.2](1,4)tetracenophane: a covalently coupled tetracene dimer and its structural, electrochemical, and photophysical characterization Organic Chemistry Frontiers 4 853-860 , Royal Society of Chemistry (RSC) [DOI] [URL]

Binder, M.; Schrenk, C.; Block, T.; Pöttgen, R. & Schnepf, A. (2017) [Hyp-Au-Sn_9(Hyp)_3-Au-Sn_9(Hyp)_3-Au-Hyp]^-: the longest intermetalloid chain compound of tin Chemical Communications [DOI] [URL]

Bonath, M.; Hollfelder, C.; Schädle, D.; Maichle-Mössmer, C.; Sirsch, P. & Anwander, R. (2017) C-H Bond Activation and Isoprene Polymerization by Lutetium Alkylaluminate/gallate Complexes Bearing a Peripheral Boryl and a Bulky Hydrotris(pyrazolyl)borate Ligand European Journal of Inorganic Chemistry [DOI] [URL]

Borschensky, C. & Kulesza, A. (2017) Double parton scattering in pair production of J/uppsi mesons at the LHC revisited Physical Review D 95 , American Physical Society (APS) [DOI]

Carauta, M.; Latynskiy, E.; Mössinger, J.; Gil, J.; Libera, A.; Hampf, A.; Monteiro, L.; Siebold, M. & Berger, T. (2017) Can preferential credit programs speed up the adoption of low-carbon agricultural systems in Mato Grosso, Brazil? Results from bioeconomic microsimulation Regional Environmental Change , Springer Nature [DOI] [URL]

Ceverino, D.; Glover, S. C. O. & Klessen, R. S. (2017) Introducing the FirstLight project: UV luminosity function and scaling relations of primeval galaxies Monthly Notices of the Royal Astronomical Society 470 2791-2798 , Oxford University Press [DOI]

Chao, Y.-K.; Schludi, V.; Chen, C.-C.; Butz, E.; Nguyen, O. N. P.; Müller, M.; Krüger, J.; Kammerbauer, C.; Ben-Johny, M.; Vollmar, A. M.; Berking, C.; Biel, M.; Wahl-Schott, C. A. & Grimm, C. (2017) TPC2 polymorphisms associated with a hair pigmentation phenotype in humans result in gain of channel function by independent mechanisms. Proceedings of the National Academy of Sciences of the United States of America 114 E8595-E8602 , National Academy of Sciences [DOI] [URL]

Chen, Y.-X. & Jacob, T. (2017) Function Calculation: A Simple Way to Predict the Geometry Parameters of Self-Organized Titania Nanotube Arrays ChemElectroChem 4 476-480 , Wiley-Blackwell [DOI] [URL]

Chou, C.-w.; Kurz, C.; Hume, D. B.; Plessow, P. N.; Leibrandt, D. R. & Leibfried, D. (2017) Preparation and coherent manipulation of pure quantum states of a single molecular ion Nature 545 203-207 , Springer Nature [DOI] [URL]

Cimerman, N. P.; Kuiper, R. & Ormel, C. W. (2017) Hydrodynamics of embedded planets' first atmospheres – III. The role of radiation transport for super-Earth planets Monthly Notices of the Royal Astronomical Society 471 4662-4676 , Oxford University Press (OUP) [DOI]

Comba, P.; Benzing, K.; Martin, B.; Pokrandt, B. & Keppler, F. (2017) Nonheme iron-oxo-catalyzed methane formation from methyl thioethers: Scope, mechanism and relevance for natural systems Chemistry - A European Journal , Wiley-Blackwell [DOI] [URL]

Comba, P.; Eisenschmidt, A.; Gahan, L. R.; Herten, D.-P.; Nette, G.; Schenk, G. & Seefeld, M. (2017) Is Cu^II Coordinated to Patellamides inside Prochloron Cells? Chemistry - A European Journal , Wiley-Blackwell [DOI] [URL]

Comba, P.; Enders, M.; Großhauser, M.; Hiller, M.; Müller, D. & Wadepohl, H. (2017) Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln^III and two terminal Ni^II centers Dalton Trans. 46 138-149 , Royal Society of Chemistry (RSC) [DOI] [URL]

Comba, P.; Pokrandt, B. & Wadepohl, H. (2017) Oxidation of Cobalt(II) Bispidine Complexes with Dioxygen Australian Journal of Chemistry 70 576 , CSIRO Publishing [DOI] [URL]

Cordero, F. F.; Hofmann, P. & Ita, H. (2017) WmathplusW-mathplus3 -jet production at the Large Hadron Collider in next-to-leading-order QCD Physical Review D 95 , American Physical Society (APS) [DOI] [URL]

Cui, J.; van Bijnen, R.; Pohl, T.; Montangero, S. & Calarco, T. (2017) Optimal control of Rydberg lattice gases Quantum Science and Technology 2 035006 , IOP Publishing [DOI] [URL]

Cui, K.; Mali, K. S.; Wu, D.; Feng, X.; Müllen, K.; Walter, M.; Feyter, S. D. & Mertens, S. F. L. (2017) Reversible Anion-Driven Switching of an Organic 2D Crystal at a Solid-Liquid Interface Small 13 1702379 , Wiley-Blackwell [DOI]

Cui, L.; Jeong, W.; Hur, S.; Matt, M.; Klöckner, J. C.; Pauly, F.; Nielaba, P.; Cuevas, J. C.; Meyhofer, E. & Reddy, P. (2017) Quantized thermal transport in single-atom junctions Science 355 1192-1195 , American Association for the Advancement of Science (AAAS) [DOI] [URL]

Cui, X. & Gutheil, E. (2017) Three-dimensional unsteady large eddy simulation of the vortex structures and the mono-disperse particle dispersion in the idealized human upper respiratory system Journal of Aerosol Science 114 195-208 , Elsevier [DOI]

Daday, C.; Kolšek, K. & Gräter, F. (2017) The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations Scientific Reports 7 11669 , Nature Publishing Group [DOI]

Damjanović, M.; Samuel, P. P.; Roesky, H. W. & Enders, M. (2017) NMR analysis of an Fe(I)–carbene complex with strong magnetic anisotropy Dalton Trans. 46 5159–5169 , Royal Society of Chemistry (RSC) [DOI] [URL]

Dittmaier, S.; Huss, A. & Knippen, G. (2017) Next-to-leading-order QCD and electroweak corrections to WWW production at proton-proton colliders [DOI]

Eberle, B.; Kaifer, E. & Himmel, H.-J. (2017) A Stable Hexakis(guanidino)benzene: Realization of the Strongest Neutral Organic Four-Electron Donor Angewandte Chemie International Edition , Wiley-Blackwell [DOI] [URL]

Eberle, B.; Kaifer, E. & Himmel, H.-J. (2017) Ein stabiles Hexakis(guanidino)benzol: Synthese des stärksten neutralen organischen Vier-Elektronen-Donors Angewandte Chemie , Wiley-Blackwell [DOI] [URL]

Edel, K.; Krieg, M.; Grote, D. & Bettinger, H. F. (2017) Photoreactions of Phenylborylene with Dinitrogen and Carbon Monoxide Journal of the American Chemical Society 139 15151-15159 , American Chemical Society (ACS) [DOI] [URL]

Eggensperger, K.; Lindauer, M. & Hutter, F. (2017) Predicting Runtime Distributions using Deep Neural Networks

Einholz, R.; Fang, T.; Berger, R.; Grüninger, P.; Früh, A.; Chassé, T.; Fink, R. F. & Bettinger, H. F. (2017) Heptacene: Characterization in Solution, in the Solid State, and in Films Journal of the American Chemical Society 139 4435–4442 , American Chemical Society (ACS) [DOI] [URL]

El-Gabbas, A. & Dormann, C. F. (2017) Improved species-occurrence predictions in data-poor regions: using large-scale data and bias correction with down-weighted Poisson regression and Maxent Ecography , Wiley-Blackwell [DOI] [URL]

Ernst, M.; Wolf, S. & Stock, G. (2017) Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme Journal of Chemical Theory and Computation 13 5076-5088 , American Chemical Society [DOI] [URL]

Evers, J.; Möckl, L.; Oehlinger, G.; Köppe, R.; Schnöckel, H.; Barkalov, O.; Medvedev, S. & Naumov, P. (2017) More Than 50 Years after Its Discovery in SiO_2 Octahedral Coordination Has Also Been Established in SiS_2 at High Pressure Inorganic Chemistry 56 pp 372–377 [DOI] [URL]

Exler, F. (2017) Consumer Debt and Default , Universitätsbibliothek Mannheim [URL]

Fantauzzi, D.; Krick Calderón, S.; Mueller, J. E.; Grabau, M.; Papp, C.; Steinrück, H.-P.; Senftle, T. P.; van Duin, A. C. T. & Jacob, T. (2017) Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures Angewandte Chemie 129 2638-2642 , Wiley-Blackwell [DOI] [URL]

Farkas, A.; Fantauzzi, D.; Mueller, J. E.; Zhu, T.; Papp, C.; Steinrück, H.-P. & Jacob, T. (2017) On the platinum-oxide formation under gas-phase and electrochemical conditions Journal of Electron Spectroscopy and Related Phenomena 221 44-57 , Elsevier BV [DOI] [URL]

Fath, L.; Hochbruck, M. & Singh, C. V. (2017) A fast mollified impulse method for biomolecular atomistic simulations Journal of Computational Physics 333 180-198 , Elsevier BV [DOI] [URL]

Fingerle, M.; Maichle-Mössmer, C.; Schundelmeier, S.; Speiser, B. & Bettinger, H. F. (2017) Synthesis and Characterization of a Boron–Nitrogen-Boron Zigzag-Edged Benzo[fg]tetracene Motif Organic Letters 19 4428-4431 , American Chemical Society (ACS) [DOI] [URL]

Franke, B.; Müller, S. & Müller, S. (2017) The q-factors and expected bond returns Journal of banking & finance 83 19-35 , Elsevier [DOI]

Gallinaro, J. V. & Rotter, S. (2017) Associative properties of structural plasticity based on firing rate homeostasis in recurrent neuronal networks

Gawlok, S. (2017) Numerical Methods for Compressible Flow with Meteorological Applications [DOI] [URL]

Gawlok, S.; Gerstner, P.; Haupt, S.; Heuveline, V.; Kratzke, J.; Lösel, P.; Mang, K.; Schmidtobreick, M.; Schoch, N.; Schween, N.; Schwegler, J.; Song, C. & Wlotzka, M. (2017) HiFlow3--Technical Report on Release 2.0 Preprint Series of the Engineering Mathematics and Computing Lab [DOI]

Gediga, M.; Feil, C. M.; Schlindwein, S. H.; Bender, J.; Nieger, M. & Gudat, D. (2017) A N-heterocyclic Phosphenium Complex of Manganese: Synthesis and Catalytic Activity in Ammonia-Borane Dehydrogenation Chemistry - A European Journal , Wiley-Blackwell [DOI] [URL]

Gediga, M.; Schlindwein, S. H.; Bender, J.; Nieger, M. & Gudat, D. (2017) Variable Reaktivität eines N-heterocyclischen Phosphenium-Komplexes: P-C-Bindungsaktivierung oder “abnormale” Deprotonierung Angewandte Chemie 129 15924-15928 , Wiley-Blackwell [DOI] [URL]

Gerhard, L.; Edelmann, K.; Homberg, J.; Valášek, M.; Bahoosh, S. G.; Lukas, M.; Pauly, F.; Mayor, M. & Wulfhekel, W. (2017) An electrically actuated molecular toggle switch Nature Communications 8 14672 , Springer Nature [DOI] [URL]

Gerster, M.; Rizzi, M.; Silvi, P.; Dalmonte, M. & Montangero, S. (2017) Fractional quantum Hall effect in the interacting Hofstadter model via tensor networks Physical Review B 96 195123-1 - 195123-8 [DOI] [URL]

Giereth, R.; Frey, W.; Junge, H.; Tschierlei, S. & Karnahl, M. (2017) Copper Photosensitizers Containing PˆN Ligands and Their Influence on Photoactivity and Stability Chemistry - A European Journal 23 17432-17437 , Wiley-Blackwell [DOI] [URL]

Goncalves, T. J.; Arnold, U.; Plessow, P. N. & Studt, F. (2017) Theoretical Investigation of the Acid Catalyzed Formation of Oxymethylene Dimethyl Ethers from Trioxane and Dimethoxymethane ACS Catalysis 7 3615-3621 [DOI] [URL]

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