O 28: Organic Molecules at Surfaces 3: Theory
Dienstag, 6. September 2022, 10:30–12:45, S051
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10:30 |
O 28.1 |
Switchable interfaces based on bistable molecules: tetrachloropyrazine on Pt(111) — •Lukas Hörmann, Andreas Jeindl, and Oliver T. Hofmann
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10:45 |
O 28.2 |
Substrate enhanced Jahn-Teller effect in single molecule junctions — •Moritz Frankerl, Laerte Patera, Thomas Frederiksen, Jascha Repp, and Andrea Donarini
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11:00 |
O 28.3 |
Impact of electron-phonon interaction on metal-organic interface states — •Lukas Eschmann, Jan Neuendorf, and Michael Rohlfing
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11:15 |
O 28.4 |
X-ray spectroscopic fingerprints of chemical bonding at molecule-metal interfaces revealed by first-principles core-level simulation — •Samuel J. Hall, Benedikt P. Klein, and Reinhard J. Maurer
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11:30 |
O 28.5 |
The sensitivity of NMR chemical shifts to organic/inorganic interfaces — •Viviana Piccinni, Emmanouil Veroutis, Karsten Reuter, Josef Granwehr, and Christoph Scheurer
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11:45 |
O 28.6 |
Classifying Chiral Structure by a Convolutional Neural Network — •Peer Kasten, Mandy Stritzke, Johannes Tim Seifert, Björn Möller, Timo de Wolff, Tim Fingscheidt, and Uta Schlickum
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12:00 |
O 28.7 |
Energy landscaping with external electric fields: Selective stabilization of interface polymorphs — •Johannes Cartus, Andreas Jeindl, Anna Werkovits, and Oliver Hofmann
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12:15 |
O 28.8 |
Interlayer orbital overlap governing thin-film geometry: the role of interfacial charge transfer — •Fabio Calcinelli, Andreas Jeindl, Lukas Hörmann, and Oliver Hofmann
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12:30 |
O 28.9 |
Polymorph trapping by optimized deposition conditions: A first-principles prediction for TCNE/Cu(111) — •Anna Werkovits, Andreas Jeindl, Lukas Hörmann, Johannes J. Cartus, and Oliver T. Hofmann
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