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Bibliographia Humboldtiana Index

Bibliographia Humboldtiana

III. Publications by Research Awardees in 2012

Chemistry, pharmacy

Bazan, Prof. Dr. Guillermo

University of California, Santa Barbara, United States of America
Field of research: Organic chemistry
Host: Prof. Dr. Christoph J. Brabec Friedrich-Alexander-Universität Erlangen-Nürnberg
  • Jason D. Azoulay, Haiyang Gao, Zachary A. Koretz, Gerald Kehr, Gerhard Erker, Fumihiko Shimizu, Griselda B. Galland, Guillermo C. Bazan: Propylene Polymerization with α-Keto-β-Diimine Initiators Proceeds via Enantiomorphic Site Control. In: Macromolecules. 45, 2012, p. 4487 - 4493.

  • Andrea Gutacker, Chi-Yen Lin, Lei Ying, Thuc-Quyen Nguyen, Ullrich Scherf, Guillermo C. Bazan: Cationic Polyfluorene-b-Neutral Polyfluorene “Rod–Rod” Diblock Copolymers. In: Macromolecules. 45, 2012, p. 4441 - 4446.

  • Zachary B. Henson, Klaus Müllen, Guillermo C. Bazan: Design strategies for organic semiconductors beyond the molecular formula. In: Nature Chemistry. 4, 2012, p. 699 - 704.

Chergui, Prof. Dr. Majed

Ecole Polytechnique Federale de Lausanne, Switzerland
Field of research: Spectroscopy
Host: Prof. Dr. Martin Wolf Fritz-Haber-Institut der Max-Planck-Gesellschaft
  • Majed Chergui: Ultrafast Structural Dynamics of Biological Systems. In: Comprehensive Biophysics, Volume 1, Biophysical Techniques for Structural Characterization of Macromolecules. (Ed. Edward H. Egelman) Oxford: Academic Press, 2012, p. 398 - 424 [X-ray and electron diffraction, X-ray absorption spectroscopy, Multidimensional spectroscopies, structural dynamics, haem proteins, retinal proteins, lipid bilayers].

Langer, Prof. Dr. Dr. h.c. mult. Robert

Massachusetts Institute of Technology, United States of America
Field of research: Pharmaceutical technology, galenics

  • Woo Kyung Cho, James A. Ankrum, Dagang, Guo, Shawn A. Chester, Seung Yun, Yang, Anurag Kashyap, Georgina A. Campbell, Robert J. Wood, Ram K. Rijal, Rohit Karnik, Robert Langer, and Jeffrey M. Karp: Microstructured barbs on the North American porcupine quill enable easy tissue penetration and difficult removal. In: Proceedings of the National Academy of Sciences, U.S.A.. 109, 2012, p. 21289 - 21294 [porcupine, quills, tissue adhesion, bio-inspired devices, trocars, vascular tunnelers].

Pyykkö, Prof. Dr. Pekka

University of Helsinki, Finland
Field of research: Theoretical chemistry
Host: Prof. Dr. A. Stephen K. Hashmi Ruprecht-Karls-Universität Heidelberg
  • Pekka Pyykkö: Relativistic effects in chemistry: More common than you thought. In: Annual Review of Physical Chemistry. 63, 2012, p. 45 - 64 [Relativistic effects, gold, lead, clusters, topological insulators.].

Schwerdtfeger, Prof. Dr. Peter A.

Massey University, New Zealand
Field of research: Theoretical chemistry
Host: Prof. Dr. Gernot Frenking Philipps-Universität Marburg
  • X.-J. Liu, I. Hamilton, R. P. Krawczyk, P. Schwerdtfeger: Free Helical Gold Nanowires: A Relativistic Density Functional Study. In: Journal of Computational Chemistry. 33, 2012, p. 311 - 318 [Computational Chemistry, Nano-materials].

  • Andreas Hauser, Peter Schwerdtfeger: Nanoporous graphene membranes for efficient 3He/4He separation. In: Journal of Physical Chemistry Letters. 3, 2012, p. 209 - 213 [Graphene, isotope separation, computational chemistry].

  • Susan Biering, Peter Schwerdtfeger: A comparative density functional study of the low pressure phases of solid ZnX, CdX and HgX. Trends and relativistic effects. In: Journal of Chemical Physics . 136, 2012, p. 034504-1 - 034504-15 [Solid State Physics].

  • F. Calvo, E. Pahl, P. Schwerdtfeger, F. Spiegelman: Diatomics-in-molecules modeling of many-body effects on the structure and thermodynamics of mercury clusters. In: Journal of Chemical Theory and Computation . 8, 2012, p. 639 - 648 [Monte-Carlo Simulation, Melting Process, Mercury].

  • R. Tonner, P. Schwerdtfeger, A. L. May, J. D. Steill, G. Berden, J. Oomens, S. R. Campagna, R. N. Compton: Experimental and theoretical studies of tartaric acid dianion decomposition and stabilization by hydrogen bonding and sodium complexation. In: Journal of Physical Chemistry A . 116, 2012, p. 4789 - 4800 [Dianions, Physical Chemistry].

  • A. W. Hauser, J. Schrier, P. Schwerdtfeger: Helium tunneling through nitrogen-functionalized graphene pores. In: Journal of Physical Chemistry C . 116, 2012, p. 10819 - 10827 [Graphene, Isotope Separation, Computational Chemistry].

  • A. Borschevsky, M. Ilias, V. A. Dzuba, K. Beloy, V. V. Flambaum, P. Schwerdtfeger: The P-odd interaction constant WA from relativistic ab initio calculations of diatomic molecules. In: Physical Review A. 85, 2012, p. 052509-1 - 052509-2 [Nuclear Anapole Moment, Molecular Physics].

  • T. Hangele, M. Dolg, M. Hanrath, X. Cao, H. Stoll, P. Schwerdtfeger: Accurate Relativistic Energy-Consistent Pseudopotentials for the Superheavy Elements 111 to 118 Including Quantum Electrodynamic Effects. In: Journal of Chemical Physics. 136, 2012, p. 214105-1 - 214105-11 [Pseudopotential Theory, Relativistic Quantum Theory, Quantum Electrodynamics].

  • P. Schwerdtfeger, C. van Wüllen, J. R. Cheeseman: Breakdown of the pseudopotential approximation for magnetizabilities and electric multipole moments. II. The importance of gauge invariance for large-core semi-local pseudopotentials. In: Journal of Chemical Physics. 137, 2012, p. 014107-1 - 014107-8 [Pseudopotential Theory, Magnetic Suszeptibilities, Molecular Physics].

  • J. Wiebke, E. Pahl, P. Schwerdtfeger: Up To Fourth Virial Coefficients From Simple And Efficient Internal-Coordinate Sampling: Application To Neon. In: Journal of Chemical Physics. 137, 2012, p. 014509-1 - 014509-7 [Neon, Gas Phase, Virial Equation].

  • Susan Biering, Peter Schwerdtfeger: A comparative density functional study of the high-pressure phases of solid ZnX, CdX and HgX (X=O, S, Se and Te): Trends and relativistic effects. In: Journal of Chemical Physics. 137, 2012, p. 034705-1 - 034705-17 [Solid State Physics, Relativistic Effects].

  • B. Ostojić, P. R. Bunker, P. Schwerdtfeger, A. Gertych, P. Jensen: The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states X 1Σg+ and ã 3Σu+. In: Journal of Molecular Structure. 1023, 2012, p. 101 - 107 [Spectroscopy, Small Molecules].

  • Jonas Wiebke, Peter Schwerdtfeger, Elke Pahl: Sensitivity of the Thermal And Acoustic Virial Coefficients of Argon to the Argon Interaction Potential. In: Journal of Chemical Physics. 137, 2012, p. 064702-1 - 064702-8 [Argon, Gas Phase, Virial Equation].

  • Andreas Hauser, Peter Schwerdtfeger: Methane-selective nanoporous graphene membranes for gas purification. In: Physical Chemistry Chemical Physics. 14, 2012, p. 3292 - 3298 [Graphene, Gas Separation, Methane].

  • A. Borschevsky, M. Ilias, V. A. Dzuba, K. Beloy, V. V. Flambaum, P. Schwerdtfeger: Nuclear-spin dependent parity violation in diatomic molecular ions. In: Physical Review A. 86, 2012, p. 050501-1 - 050501-4 [Nuclear Anapole Moment, Molecular Physics].

  • Peter Schwerdtfeger: Von den alten zu den neuen Ängsten. In: Angst - Lähmender Stillstand und Motor des Fortschritts. (Ed. Dietmar Goltschnigg) Tübingen: Stauffenberg Verlag, 2012, p. 165 - 171 [Angst].

Tsirelson, Prof. Dr. Vladimir G.

D. Mendeleev University of Chemical Technology of Russia, Russian Federation
Field of research: Theoretical chemistry
Host: Prof. Dr. Andreas Görling Friedrich-Alexander-Universität Erlangen-Nürnberg
  • M. V. Vener, A. N. Egorova, A. V. Churakov and Vladimir G. Tsirelson: Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions. In: J. Comp. Chem. . 33, 2012, p. 2303 - 2309 [Noncovalent interactions, QTAIMC, electron density, DFT calculations].

Yoshifuji, Prof. Dr. Masaaki

Tohoku University, Japan
Field of research: Organic chemistry
Host: Prof. Dr. Rainer Streubel Rheinische Friedrich-Wilhelms-Universität Bonn
  • Masaaki Yoshifuji, Yuichi Hirano, Gregor Schnakenburg, Rainer Streubel, Edgar Niecke, Shigkazu Ito: New Aspects of 1,3-Diphosphacyclobutane-2,4-diyls. In: Helvetica Chimica Acta. 95, 10, 2012, p. 1723 - 1729.