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19:00 |
SYCN 102.1 |
Self-assembled structures in binary polymer brushes — •Marcus Müller
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19:00 |
SYCN 102.2 |
Electronic structure and magnetic interactions in ideal and defective transition-metal oxides — •Diemo Ködderitzsch, Wolfram Hergert, Zdsilawa Szotek, and Walter M. Temmerman
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19:00 |
SYCN 102.3 |
Coherent transport through a molecular wire: DFT calculations — •M. Koentopp, F. Weigend, and F. Evers
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19:00 |
SYCN 102.4 |
Mechanical response of the alpha-helix secondary structure under tensile and compressive load: DFT study — •Joel Ireta, Joerg Neugebauer, and Matthias Scheffler
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19:00 |
SYCN 102.5 |
Ab initio molecular dynamics simulations of liquid and supercritical ammonia — •Amalendu Chandra and Dominik Marx
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19:00 |
SYCN 102.6 |
Nonequilibrium-transport through single-molecule junctions — •F. Pauly, J. Heurich, J.C. Cuevas, W. Wenzel, and Gerd Schön
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19:00 |
SYCN 102.7 |
New adapted method for solving systems of differential equations - The Magnus method — •Markus Däne, Jörg Wensch, Arthur Ernst, Wolfram Hergert, and Rüdiger Weiner
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19:00 |
SYCN 102.8 |
The Structure of Magnesium Alanate — •Oliver Rubner, Andreas Glöß, and Reinhart Ahlrichs
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19:00 |
SYCN 102.9 |
Hydrogen bonded systems: A comparative DFT study — •L. Ismer, J. Ireta, and J Neugebauer
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19:00 |
SYCN 102.10 |
Metallic MX2 tubes — •Sibylle Gemming and Gotthard Seifert
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19:00 |
SYCN 102.11 |
Tuning and contacting metallic nanowires — •Sibylle Gemming, Michael Weldon, and Michael Schreiber
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19:00 |
SYCN 102.12 |
Simulation of Supra-molecular Nanowires — •Thomas Markert, Ferdinand Jamitzky, Frank Trixler, Axel Gross, and Wolfgang Heckl
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19:00 |
SYCN 102.13 |
Effect of Dynamic Disorder on the Excitonic States of LH2 Antenna Complexes — •Ulrich Kleinekathöfer, Ana Damjanović, Ioan Kosztin, and Klaus Schulten
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19:00 |
SYCN 102.14 |
Nonadiabatic tight-binding study of ion-C60 collisions — •David Heringer, Thomas Niehaus, Marcus Elstner, and Thomas Frauenheim
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19:00 |
SYCN 102.15 |
Calculating the mechanical strength of a covalent bond — •Martin Beyer
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19:00 |
SYCN 102.16 |
First-principles study of Cu nanoclusters adorbed on nonpolar ZnO (1010) surfaces — •Bernd Meyer and Dominik Marx
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19:00 |
SYCN 102.17 |
AC-response of a carbon nanotube Y-junction — •Miriam del Valle, Nitesh Ranjan, and Gianaurelio Cuniberti
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19:00 |
SYCN 102.18 |
Finding global energy minima of silicon nanoclusters — •Indira Chaudhuri, Stefan Sertl, Zoltan Hajnal, Michael Dellnitz, and Thomas Frauenheim
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19:00 |
SYCN 102.19 |
A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water — •Gerald Mathias, Bernhard Egwolf, Marco Nonella und Paul Tavan
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19:00 |
SYCN 102.20 |
Conformational Dynamics of Photoswitchable Cyclic Peptides and its Data Driven Analysis — •Heiko Carstens and Paul Tavan
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19:00 |
SYCN 102.21 |
Continuum description of solvent dielectrics in molecular dynamics simulations — •Bernhard Egwolf and Paul Tavan
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19:00 |
SYCN 102.22 |
Copper(II) Binding to Prion Protein Octapeptide Studied by Density Functional Methods — •Andreas Weiss and Paul Tavan
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19:00 |
SYCN 102.23 |
β-helices as putative structural motifs in neurodegenerative diseases involving amyloid plaques: Structural stability studied by MD-simulations — •Martina Stork and Paul Tavan
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