Forschungsbereich Theoretische Chemie

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Organization Name (de) Name der Organisation (de)
E165-03 - Forschungsbereich Theoretische Chemie
 
Code Kennzahl
E165-03
 
Type of Organization Organisationstyp
Research Division
Parent OrgUnit Übergeordnete Organisation
 
Active Aktiv
 

SubOrgUnits

Results 1-2 of 2 (Search time: 0.001 seconds).

NameCountryRorId
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k

OrgUnit's Publications


Results 141-160 of 601 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
141Blaha, Peter Calculations of NMR shifts in metallic and insulating solidsPräsentation Presentation2017
142Bagheri, Mahdiyar DFT calculations of energy dependent XPS valence band spectraPräsentation Presentation2017
143Kalantari, Leila ; Blaha, Peter Study of Y NMR shielding in intermetallic Yttrium compoundsPräsentation Presentation2017
144Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter DFT study of water adsorption on alkaline-earth-oxide surfacesPräsentation Presentation2017
145Ruh, Thomas ; Blaha, Peter Improving the parallel performance of WIEN2kPräsentation Presentation2017
146Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter Alkaline-Earth-Doped MgO-SurfacesPräsentation Presentation2017
147Bagheri, Mahdiyar ; Blaha, Peter DFT calculations of energy dependent XPS valence band spectraPräsentation Presentation2017
148Kalantari, Leila ; Blaha, Peter Computational study of Y NMR shielding in intermetallic yttrium compoundsPräsentation Presentation2017
149Tröster, Andreas ; Belbase, Kamal ; Blaha, Peter Implementation of Stress Tensor in the LAPW MethodPräsentation Presentation2017
150Tröster, Andreas DFT meets Landau: A finite strain Landau theory of high pressure phase transitionsPräsentation Presentation2017
151Tröster, Andreas DFT meets Landau Theory: The High Pressure Phase Transition of Lead TitanatePräsentation Presentation2017
152Tröster, Andreas Interplay of fast and slow degrees of freedom in the disk-to-slab transition, lecture at the Mainz Materials Simulation DaysPräsentation Presentation2017
153Kalantari, Leila Computational study of NMR shielding in intermetallic yttrium compoundsPräsentation Presentation2017
154Schwarz, Karlheinz DFT and the concept of the APW+lo methodPräsentation Presentation2017
155Kalantari, Leila Computational Study of NMR shielding in intermetallic yttrium compoundsPräsentation Presentation2017
156Blaha, Peter A simple way to apply nonlocal van der Waals functionals within all-electron methodsPräsentation Presentation2017
157Sipr, Ondrej ; Khan, Saleem ; Ebert, Hubert ; Blaha, Peter ; Minar, J. Importance of Madelung potential for magnetism of alloys: FePd studied via CPA and via supercellsPräsentation Presentation2017
158Bichler, Magdalena ; Kraushofer, Florian ; Zdenek, Jakub ; Parkinson, Gareth S. ; Blaha, Peter The (012) Surfaces of Hematite - a DFT StudyPräsentation Presentation2017
19Kalantari, Leila ; Blaha, Peter Computational study of Y NMR shielding in intermetallic Y compoundsPräsentation Presentation2017
20Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter DFT Study of Water Adsorption on Alkaline-Earth-Oxide SurfacesPräsentation Presentation2017