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	1.	Density functional theory in materials science. [electronic resource] by Neugebauer, Jörg Hickel, Tilmann Publication details: Wiley interdisciplinary reviews. Computational molecular science Sep 2013 In: Wiley interdisciplinary reviews. Computational molecular science vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Hydrogen behaviour at twist {110} grain boundaries in [electronic resource] by McEniry, Eunan J Hickel, Tilmann Neugebauer, Jörg Producer: 20170724 In: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences vol. 375 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Origin of Structural Modulations in Ultrathin Fe Films on Cu(001). [electronic resource] by Zhang, Xie Hickel, Tilmann Rogal, Jutta Neugebauer, Jörg Producer: 20180205 In: Physical review letters vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys (abstract only). [electronic resource] by Hickel, Tilmann Uijttewaal, Matthé Grabowski, Blazej Neugebauer, Jörg Producer: 20121002 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	A map for phase-change materials. [electronic resource] by Lencer, Dominic Salinga, Martin Grabowski, Blazej Hickel, Tilmann Neugebauer, Jörg Wuttig, Matthias Producer: 20081211 In: Nature materials vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Mechanism of collective interstitial ordering in Fe-C alloys. [electronic resource] by Zhang, Xie Wang, Hongcai Hickel, Tilmann Rogal, Jutta Li, Yujiao Neugebauer, Jörg Publication details: Nature materials Aug 2020 In: Nature materials vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: a first-principles study. [electronic resource] by von Appen, Jörg Dronskowski, Richard Chakrabarty, Aurab Hickel, Tilmann Spatschek, Robert Neugebauer, Jörg Producer: 20150519 In: Journal of computational chemistry vol. 35 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Reliability evaluation of thermophysical properties from first-principles calculations. [electronic resource] by Palumbo, Mauro Fries, Suzana G Dal Corso, Andrea Kürmann, Fritz Hickel, Tilmann Neugebauer, Jürg Producer: 20151013 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. [electronic resource] by Glensk, Albert Grabowski, Blazej Hickel, Tilmann Neugebauer, Jörg Neuhaus, Jürgen Hradil, Klaudia Petry, Winfried Leitner, Michael Producer: 20191230 In: Physical review letters vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. [electronic resource] by Stockem, Irina Bergman, Anders Glensk, Albert Hickel, Tilmann Körmann, Fritz Grabowski, Blazej Neugebauer, Jörg Alling, Björn Producer: 20181010 In: Physical review letters vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. [electronic resource] by Elstnerová, Pavlína Friák, Martin Fabritius, Helge Otto Lymperakis, Liverios Hickel, Tilmann Petrov, Michal Nikolov, Svetoslav Raabe, Dierk Ziegler, Andreas Hild, Sabine Neugebauer, Jörg Producer: 20110131 In: Acta biomaterialia vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts. [electronic resource] by Zegkinoglou, Ioannis Zendegani, Ali Sinev, Ilya Kunze, Sebastian Mistry, Hemma Jeon, Hyo Sang Zhao, Jiyong Hu, Michael Y Alp, E Ercan Piontek, Stefan Smialkowski, Mathias Apfel, Ulf-Peter Körmann, Fritz Neugebauer, Jörg Hickel, Tilmann Roldan Cuenya, Beatriz Producer: 20180516 In: Journal of the American Chemical Society vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)