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Treffer Dokumente:

Erscheinungsdatum	Titel	Autor(en)
2020	Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: application to Al and magnetic Ni	Zhu, Li-Fang; Körmann, Fritz; Ruban, Andrei V.; Neugebauer, Jörg; Grabowski, Blazej
2018	Migration mechanisms of a faceted grain boundary	Hadian, Raheleh; Grabowski, Blazej; Finnis, Michael W.; Neugebauer, Jörg
2021	Calcium chloride treated highly elastane cotton fabrics as antibacterial, comfortable and environmentally friendly materials	Varan, Nilufer Yildiz; Caydamli, Yavuz
2016	Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics	Alling, Björn; Körmann, Fritz; Grabowski, Blazej; Glensk, Albert; Abrikosov, Igor A.; Neugebauer, Jörg
2019	Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab Initio	Glensk, Albert; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg; Neuhaus, Jürgen; Hradil, Klaudia; Petry, Winfried; Leitner, Michael
2021	Application of machine-learning for construction of bias potential: a case study of add-atom hyperdynamics and straight screw dislocation migration	Novikov, Ivan S.
2021	Structural and magnetic properties of newly found BaFeO2.667 synthesized by oxidizing BaFeO2.5 obtained via nebulized spray pyrolysis	Wollstadt, Stephan; Ikeda, Yuji; Sarkar, Abhishek; Vasala, Sami; Fasel, Claudia; Alff, Lambert; Kruk, Robert; Grabowski, Blazej; Clemens, Oliver
2021	From macro to mesoporous ZnO inverse opals : synthesis, characterization and tracer diffusion properties	Kousik, Shravan; Sipp, Diane; Abitaev, Karina; Li, Yawen; Sottmann, Thomas; Koynov, Kaloian; Atanasova, Petia
2022	Photocatalytic CO2 conversion using metal-containing coordination polymers and networks : recent developments in material design and mechanistic details	Hornberger, Lea-Sophie; Adams, Friederike
2021	Hydrothermal synthesis, crystal structure, and spectroscopic properties of pure and Eu3+-doped NaY[SO4]2 ∙ H2O and its anhydrate NaY[SO4]2	Buyer, Constantin; Enseling, David; Jüstel, Thomas; Schleid, Thomas