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Bibliographia Humboldtiana Index

Bibliographia Humboldtiana

II. Publications by Humboldt Research Fellows from Germany in 2018

Chemistry, pharmacy

Brandenburg, Dr. Jan Gerit

, Germany
Field of research: Theoretical chemistry
Host: Prof. Dr. Angelos Michaelides University College London
  • A. Zen, J. G. Brandenburg, J. Klimeš, A. Tkatchenko, D. Alfè, A. Michaelides: Fast and accurate quantum monte-carlo for molecular crystals. In: Proc. Natl. Acad. Sci. U.S.A. 115, 2018, p. 1724 - 1729 [quantum Monte-Carlo, molecular crystal, lattice energy, chemical accuracy].

  • M. Mortazavi, J. G. Brandenburg, R. J. Maurer, A. Tkatchenko: Structure and stability of molecular crystals with many body dispersion inclusive density functional tight binding. In: J. Phys. Chem. Lett.. 9, 2018, p. 399 - 405 [density functional tight binding, London dispersion interaction, many-body dispersion, molecular crystals, crystal structure prediction].

  • J. G. Brandenburg, C. Bannwarth, A. Hansen, S. Grimme: B97-3c: a revised low-cost variant of the b97-d density functional method. In: J. Chem. Phys.. 148, 2018, p. 64104 [Density functional theory, non-covalent interactions, orbital basis set, editors pick].

  • L. Iuzzolino, P. McCabeb, S. L. Price, J. G. Brandenburg: Crystal structure prediction of flexible pharmaceutical-like molecules: Density functional tight-binding as an intermediate optimization method. In: Faraday Discuss.. 211, 2018, p. 275 - 296 [crystal structure prediction, pharmaceutical, Helmholtz free energy, density functional tight-binding, London dispersion interaction].

  • E. Caldeweyher and J. G. Brandenburg: Simplified DFT methods for consistent structures and energies of large systems. In: J. Phys.: Condens. Matter. 30, 2018, p. 213001 [density functional theory, materials modelling, van der Waals interaction, counterpoise correction].

  • L. Wang and G. Kehr and C. G. Daniliuc and M. Brinkkötter and T. Wiegand and A.-L. Wübker and H. Eckert and L. Liu and J. G. Brandenburg and S. Grimme and G. Erker: Solid state frustrated Lewis pair chemistry. In: Chem. Sci.. 9, 2018, p. 4859 - 4865 [frustrated Lewis pair, hydrogen activation, solid state reaction, heterogeneous catalysis].

  • G. Sansone and A. J. Karttunen and D. Usvyat and M. Schutz and J. G. Brandenburg and L. Maschio: On the Exfoliation and Anisotropic Thermal Expansion of Black Phosphorus. In: Chem. Commun.. 54, 2018, p. 9793 - 9796 [black phosphorus, density functional theory, quasi-hamonic approximation, thermal expansion].

Cichos, Prof. Dr. Frank

Universität Leipzig, Germany
Field of research: Spectroscopy
Host: Prof. Dr. Philippe A. Bopp Universite de Bordeaux
  • Frank Cichos, Klaus Kroy: Hot Brownian Motion. In: Diffusive Spreading in Nature, Technology and Society. (Ed. Armin Bunde, Jürgen Caro, Jörg Kärger, Gero Vogl) Cham, Switzerland: Springer International Publishing AG, 2018, p. 127 - 145.

Cromm, Dr. Philipp Maximilian

Max-Planck-Institut für molekulare Physiologie, Germany
Field of research: Organic chemistry
Host: Prof. Dr. Craig M. Crews Yale University
  • George M. Burslem, Philipp Ottis, Saul Jaime‐Figueroa, Alicia Morgan, Philipp M. Cromm, Momar Toure, Craig M. Crews: Efficient Synthesis of Immunomodulatory Drug Analogues Enables Exploration of Structure–Degradation Relationships. In: ChemMedChem. 13, 2018, p. 1508 - 1512 [cereblon, condensation reactions, imides, immunomodulatory drugs, protein degradation ].

  • Philipp M.Cromm, Kusal Samarasinghe, John Hines, Craig M. Crews: Addressing Kinase-Independent Functions of Fak via PROTAC-mediated Degradation. In: Journal of the American Chemical Society. 140, 2018, p. 17019 - 17026 [Focal adheasion kinase, PROTACs, protein degradation].

Erdmann, Dr. Tim

IBM Almaden Research Center, United States of America
Field of research: Macromolecular chemistry
Host: Dr. Kristin Schmidt IBM Almaden Research Center
  • Suhao Wang*, Hengda Sun*, Tim Erdmann*, Gang Wang, Daniele Fazzi, Uwe Lappan, Yuttapoom Puttisong, Zhihua Chen, Magnus Berggren, Xavier Crispin, Anton Kiriy, Brigitte Voit, Tobin J. Marks, Simone Fabiano, Antonio Facchetti (* contributed equally): A Chemically Doped Naphthalenediimide‐Bithiazole Polymer for n‐Type Organic Thermoelectrics. In: Advanced Materials. 30, 2018, p. 1801898 [n-type semi-conducting polymers, naphthalene diimide, doping, organic thermoelectrics, organic transistors].

  • Dmitry Skidin, Tim Erdmann, Seddigheh Nikipar, Frank Eisenhut, Justus Krüger, Florian Günther, Sibylle Gemming, Anton Kiriy, Brigitte Voit, Dmitry A. Ryndyk, Christian Joachim, Francesca Moresco, Gianaurelio Cuniberti: Tuning the conductance of a molecular wire by the interplay of donor and acceptor units. In: Nanoscale. 10, 2018, p. 17131 - 17139 [molecular wire, semiconducting polymers, on-surface polymerization, diketopyrrolopyrrole, scanning tunneling microscopy imaging spectroscopy, ].

  • Rishi Shivhare, Tim Erdmann, Ulrich Hörmann, Elisa Collado-Fregoso, Stefan Zeiske, Johannes Benduhn, Sascha Ullbrich, René Hübner, Mike Hambsch, Anton Kiriy, Brigitte Voit, Dieter Neher, Koen Vandewal, Stefan C. B. Mannsfeld: Alkyl Branching Position in Diketopyrrolopyrrole Polymers: Interplay between Fibrillar Morphology and Crystallinity and Their Effect on Photogeneration and Recombination in Bulk-Heterojunction Solar Cells. In: Chemistry of Materials. 30, 2018, p. 6801 - 6809 [bulk-heterojunction solar cells, semiconducting polymers, diketopyrrolopyrrole, photogeneration, recombination].

Jerabek, Dr. Paul

Helmholtz-Zentrum Geesthacht, Germany
Field of research: Theoretical chemistry
Host: Prof. Dr. Peter A. Schwerdtfeger Massey University
  • Paul Jerabek, Odile Smits, Elke Pahl and Peter Schwerdtfeger: A relativistic coupled-cluster interaction potential and rovibrational constants for the xenon dimer. In: Molecular Physics. 1, 2018, p. 1 - 8 [Xenon many-body potential Relativistic coupled-cluster Spectroscopic constants Solid-state calculations].

  • Paul Jerabek, Bastian Schuetrumpf, Peter Schwerdtfeger, Witold Nazarewicz: Electron and nucleon localization functions of oganesson: Approaching the Thomas-Fermi limit. In: Physical Reviews Letters. 120, 2018, p. 053001 [Relativistic Effects, Oganesson, Super-heavy Elements, Electron Localization Function, Nuclear Physics, Atomic Physics].

  • Paul Jerabek, Lisa Vondung, Peter Schwerdtfeger: Tipping the Balance between Ligand and Metal Protonation due to Relativistic Effects: Unusually High Proton Affinity in Gold(I) Pincer Complexes. In: Chemistry - A European Journal. 24, 2018, p. 6047 - 6051 [Relavistic Effects, Gold, Pincer, Computational Chemistry, Bonding Analysis].

  • Odile R. Smits, Paul Jerabek, Elke Pahl, Peter Schwerdtfeger: A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon. In: Angewandte Chemie International Edition. 57, 2018, p. 9961 - 9964 [Radon, ab-initio, Monte Carlo, melting].

  • Paul Jerabek, Peter Schwerdtfeger, Jeffrey K. Nagle: Static dipole polarizability of palladium from relativistic coupled-cluster theory. In: Physical Review A. 98, 2018, p. 012508 [Palladium, ab-initio, coupled-cluster, polarizability].

  • Odile R. Smits, Paul Jerabek, Elke Pahl, Peter Schwerdtfeger: Ein hundert Jahre altes Experiment auf dem Prüfstand: hochgenaue Ab-Initio-Monte-Carlo-Schmelzsimulationen von Radon. In: Angewandte Chemie. 130, 2018, p. 10109 - 10113 Original author: Odile R. Smits, Paul Jerabek, Elke Pahl, Peter Schwerdtfeger (German) [Radon, ab-initio, Monte Carlo, melting].

  • Jan‐Michael Mewes, Paul Jerabek, D. Scott Bohle, Peter Schwerdtfeger: The Light‐Driven Isomerization of Aqueous Nitrate: A Theoretical Perspective. In: ChemPhotoChem. 2, 2018, p. 725 - 733 [Isomerization, nitrate, peroxynitrite, photochemistry, solvent effects ].

Krbek-Prömel, Dr. Larissa Katharina Sophie

Freie Universität Berlin, Germany
Field of research: Chemistry
Host: Prof. Dr. Jonathan Nitschke University of Cambridge
  • Larissa K. S. von Krbek, Derrick A. Roberts, Ben S. Pilgrim, Christoph A. Schalley, Jonathan R. Nitschke: Multivalent Crown-Ether Receptors Enable Allosteric Regulation of Anion Exchange in an Fe4L6 Tetrahedron. In: Angewandte Chemie International Edition. 57, 2018, p. 14121 - 14124 [allostery, cage compounds, host–guest systems, multivalency, self-assembly].

Lungerich, Dr. Dominik

Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany
Field of research: Organic chemistry
Host: Prof. Dr. Andreas Hirsch Friedrich-Alexander-Universität Erlangen-Nürnberg
  • Dominik Lungerich, Olena Papaianina, Mikhail Feofanov, Jia Liu, Mirunalini Devarajulu, Sergey I. Troyanov, Sabine Maier, Konstantin Amsharov: Dehydrative pi-extension to nanographenes with zig-zag edges. In: Nature Communications. 9, 2018, p. 4756 [Organic Synthesis; Methodology, Carbon-based Materials; Zig-Zag periphery, Nanographene].

  • Jan Kuliga,Liang Zhang, Michael Lepper, Dominik Lungerich, Helen Hölzel, Norbert Jux, Hans-Peter Steinrück, Hubertus Marbach : Metalation and coordination reactions of 2H-meso-trans-di(p-cyanophenyl)-porphyrin on Ag(111) with coadsorbed cobalt atoms. In: Physical Chemistry Chemical Physics. 20, 2018, p. 25062 - 25068 [Surface Science; Porphyrins; Metalation; Scanning Tunneling Microscopy].

  • Dominik Lungerich, Jakob F. Hitzenberger, Frank Hampel, Thomas Drewello, Norbert Jux: Superbenzene-Porphyrin Gas-Phase Architectures Derived from Intermolecular Dispersion interactions. In: Chemistry – A European Journal. 24, 2018, p. 15818 - 15824 [Dispersion Interactions; Porphyrin; Hexabenzocoronene; Mass Spectrometry, Single-crystal X-ray diffraction].

  • Michael Lepper, Julia Köbl, Liang Zhang, Manuel Meusel, Helen Hölzel, Dominik Lungerich, Norbert Jux, Abner de Siervo, Bernd Meyer, Hans- Peter Steinrück, and Hubertus Marbach: Controlling the Self-Metalation Rate of Tetraphenylporphyrins on Cu(111) via Cyano Functionalization. In: Angewandte Chemie International Edition. 57, 2018, p. 10074 - 10079 [Surface Science; Porphyrins; Metalation; Kinetics].

Paparo, Dr. Albert

Rheinisch-Westfälische Technische Hochschule Aachen, Germany
Field of research: Non-metallic and organometallic chemistry
Host: Prof. Dr. Cameron Jones Monash University
  • Jamie Hicks, Martin Juckel, Albert Paparo, Deepak Dange, Cameron Jones: Multigram Syntheses of Magnesium(I) Compounds Using Alkali Metal Halide Supported Alkali Metals as Dispersible Reducing Agents. In: Organometallics. 37, 2018, p. 4810 - 4813.

Schmidt, Dr. Bernd Martin Michael

Heinrich-Heine-Universität Düsseldorf, Germany
Field of research: Organic chemistry
Host: Prof. Dr. Makoto Fujita University of Tokyo
  • Johannes Gurke, Šimon Budzák, Bernd M. Schmidt, Denis Jacquemin, Stefan Hecht: Efficient Light-Induced pKa-Modulation coupled to Base-Catalyzed Photochromism. In: Angew. Chem. Int. Ed. . 57, 2018, p. 4797 - 4801 [acidity ·aromaticity ·diarylethenes ·photochromism].

  • Johannes Gurke, Šimon Budzák, Bernd M. Schmidt, Denis Jacquemin, Stefan Hecht: Effiziente lichtinduzierte pKa‐Modulation, gekoppelt mit basenkatalysierter Photochromie. In: Angew. Chem. . 130, 2018, p. 4888 - 4893 Original author: Johannes Gurke, Šimon Budzák, Bernd M. Schmidt, Denis Jacquemin, Stefan Hecht (German) [Aromatizität · Azidität · Diarylethene · Photochromie].

  • Fabian Eisenreich, Michael Kathan, Andre Dallmann, Svante P. Ihrig, Bernd M. Schmidt, Stefan Hecht: A Photoswitchable Catalyst System to Remote-Control Living Polymerization. In: Nature Catalysis. 1, 2018, p. 516 - 522 [Photoswitching, Catalysis, Photoswitches].

Synatschke, Dr. Christopher Volker

Max-Planck-Institut für Polymerforschung, Germany
Field of research: Macromolecular chemistry
Host: Prof. Dr. Stephen D. Miller Northwestern University
  • Stacey M. Chin, Christopher V. Synatschke, Shuangping Liu, Rikkert J. Nap, Nicholas A. Sather, Qifeng Wang, Zaida Álvarez, Alexandra N. Edelbrock, Timmy Fyrner, Liam C. Palmer, Igal Szleifer, Monica Olvera de la Cruz, Samuel I. Stupp: Covalent-supramolecular hybrid polymers as muscle-inspired anisotropic actuators. In: Nature Communications. 9, 2018, p. 2395 - 2395 [self-assembly, actuators, hybrid polymers, hydrogels, anisotropic actuation, hierarchical order].

  • Baizhu Chen, Christopher V. Synatschke, Valérie Jérôme, Axel H.E.Müller, Ruth Freitag, Chi Wu: Co-transfection of star-shaped PDMAEMAs enhance transfection efficiency of protamine/pDNA complexes in the presence of serum. In: European Polymer Journal. 103, 2018, p. 362 - 369 [Gene delivery, Protamine, Transfection efficiency, Star-shaped PDMAEMAs, Transfection stages].

  • Stefanie Sieste, Thomas Mack, Christopher V. Synatschke, Corinna Schilling, Christopher Meyer zu Reckendorf, Laura Pendi, Sean Harvey, Francesco S. Ruggeri, Tuomas P. J. Knowles, Christoph Meier, David Y. W. Ng, Tanja Weil, Bernd Knöll: Water-Dispersible Polydopamine-Coated Nanofibers for Stimulation of Neuronal Growth and Adhesion. In: Advanced Healthcare Materials. 7, 2018, p. 1701485 [amyloid fibers, hybrid nanomaterial, neuronal growth, peptide nanofibers, polydopamine coating].