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Journal Article (8536)

2023
Journal Article
Fidanyan, Karen, Guoyuan Liu and Mariana Rossi: Ab initio study of water dissociation on a charged Pd(111) surface.
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Fielicke, André: Probing the binding and activation of small molecules by gas-phase transition metal clusters via IR spectroscopy.
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Foppa, Lucas, Rüther Frederik, Michael Geske, Gregor Koch, Frank Girgsdies, Pierre Kube, Spencer Carey, Michael Hävecker, Olaf Timpe, Andrey Tarasov, Matthias Scheffler, Frank Rosowski, Robert Schlögl and Annette Trunschke: Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation.
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Förstel, Marko, Nima-Noah Nahvi, Kai Pollow, Taarna Studemund, Alice E. Green, André Fielicke, Stuart R. Mackenzie and Otto Dopfer: The impact of optical excitation on the binding in complexes of the cationic gold dimer: Au2+N2 and Au2+N2O.
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Frenzel, Maximilian, Marie Cherasse, Joanna Urban, Feifan Wang, Bo Xiang, Leona Nest, Lucas Huber, Luca Perfetti, Martin Wolf, Tobias Kampfrath, X.-Y. Zhu and Sebastian F. Maehrlein: Nonlinear terahertz control of the lead halide perovskite lattice.
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Freund, Hans-Joachim: Buchbesprechung: Gerhardt Ertl: Mein Leben mit der Wissenschaft.
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Friedrich, Bretislav: A century ago the Stern-Gerlach experiment ruled unequivocally in favor of Quantum Mechanics.
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Friedrich, Bretislav, Daniel Kleppner and Dudley Herschbach: About Roy Glauber.
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Fuhrich, Alexander, Joachim Paier, Sergio Tosoni, Adrian Lewandowski, Leonard Gura, Wolf-Dieter Schneider, Gianfranco Pacchioni and Hans-Joachim Freund: Mixed Germania-Silica Films on Ru(0001): A combined experimental and theoretical study.
Journal Article
Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, William Dawson, Pietro Delugas, Mehmet Dogan, Claudia Draxl, Giulia Galli, Luigi Genovese, Paolo Giannozzi, Matteo Giantomassi, Xavier Gonze, Marco Govoni, François Gygi, Andris Gulans, John M. Herbert, Sebastian Kokott, Thomas D. Kühne, Kai-Hsin Liou, Tsuyoshi Miyazaki, Phani Motamarri, Ayako Nakata, John E. Pask, Christian Plessl, Laura E. Ratcliff, Ryan M. Richard, Mariana Rossi, Robert Schade, Matthias Scheffler, Ole Schütt, Phanish Suryanarayana, Marc Torrent, Lionel Truflandier, Theresa L. Windus, Qimen Xu, Victor W.-Z. Yu and Danny Perez: Roadmap on electronic structure codes in the exascale era.
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Gelžinytė, Elena, Simon Wengert, Tamás K. Stenczel, Hendrik Heenen, Karsten Reuter, Gábor Csányi and Noam Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
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Ghan, Simiam, Elias Diesen, Christian Kunkel, Karsten Reuter and Harald Oberhofer: Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function.
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Glatthaar, Raphael, Franz Schmidt, Adnan Hammud, Thomas Lunkenbein, Tobias Okker, Frank Huster, Sven Seren, Beatriz Cela Greven, Giso Hahn and Barbara Terheiden: Silver Metallization with Controlled Etch Stop Using SiOx Layers in Passivating Contacts for Improved Silicon Solar Cell Performance.
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Gopakumar, G., I. Unger, P. Slavíček, Uwe Hergenhahn, G. Öhrwall, Sebastian Malerz, D. Céolin, Florian Trinter, Bernd Winter, I. Wilkinson, C. Caleman, O. Muchová and E. Björneholm: Radiation damage by extensive local water ionization from two-step electron-transfer-mediated decay of solvated ions.
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Götze, Michael, Lukasz Polewski, Leila Bechtella and Kevin Pagel: A 3D-Printed Offline Nano-ESI Source for Bruker MS Instruments.
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Greis, Kim, Caleb E. Griesbach, Carla Kirschbaum, Gerard Meijer, Gert von Helden, Kevin Pagel and Mark W. Peczuh: Characterization and Fate of a Septanosyl Ferrier Cation in the Gas and Solution Phases.
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Greis, Kim, Carla Kirschbaum, Katja Ober, Martin Taccone, América Y. Torres-Boy, Gerard Meijer, Kevin Pagel and Gert von Helden: Infrared Spectroscopy of Fluorenyl Cations at Cryogenic Temperatures.
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Guillemin, R., L. Inhester, M. Ilchen, T. Mazza, R. Boll, Th. Weber, S. Eckart, P. Grychtol, N. Rennhack, T. Marchenko, N. Velasquez, O. Travnikova, I. Ismail, J. Niskanen, E. Kukk, Florian Trinter, M. Gisselbrecht, R. Feifel, G. Sansone, D. Rolles, M. Martins, M. Meyer, M. Simon, R. Santra, T. Pfeifer, T. Jahnke and M.N. Piancastelli: Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser.
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Gura, Leonard, Matthias Brinker, Patrik Marschalik, Florian Kalass, Bettina Junkes, Heinz Junkes, Markus Heyde and Hans-Joachim Freund: The real honeycomb structure-From the macroscopic down to the atomic scale.
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Gura, Leonard, E.A. Soares, Joachim Paier, F. Stavale and Hans-Joachim Freund: Models for Reactions in Confined Space: Can Surface Science Contribute? A Review and Perspective.
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