Forschungsbereich Theoretische Chemie

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
 

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PreviewAuthor(s)TitleTypeIssue Date
261Assmann, Elias ; Blaha, Peter ; Held, Karsten ; Okamoto, Satoshi ; Sangiovanni, Giorgio Oxide heterostructures for efficient solar cellsPräsentation Presentation2014
262Assmann, Elias ; Blaha, Peter ; Held, Karsten ; Okamoto, Satoshi ; Sangiovanni, Giorgio Oxide heterostructures for efficient solar cellsPräsentation Presentation2014
263Assmann, Elias ; Kunes, J. ; Toschi, Alessandro ; Blaha, Peter ; Held, Karsten wien2wannier: from linearized augmented plane waves to maximally localized Wannier functionsPräsentation Presentation2014
264Assmann, Elias ; Kunes, J. ; Toschi, Alessandro ; Blaha, Peter ; Held, Karsten wien2wannier: from linearized augmented plane waves to maximally localized Wannier functionsPräsentation Presentation2014
265Paschen, Silke ; Madsen, Georg ; Rosner, Martin ; Weidenkaff, A Nanostructured Transition-Metal Clathrates and Clathrate-Oxide NanocompositesPräsentation Presentation2014
266Gerhold, Stefan ; Wang, Zhiming ; Hao, Xiangfeng ; Novotny, Zbynek ; Franchini, C. ; McDermott, Eamon ; Schulte, Karina ; Schmid, Michael ; Diebold, Ulrike Water Adsorption at the Tetrahedral Titania Surface Layer of SrTiO₃(110)-(4×1): An STM and Photoemission StudyPräsentation Presentation2014
267Tran, F ; Karsai, Ferenc ; Blaha, Peter Study of nonmagnetic and ferromagnetic fcc cerium with one-electron methodsPräsentation Presentation2014
268Tran, F Study of nonmagnetic and ferromagnetic fcc cerium with one-electron methodsPräsentation Presentation2014
269Tran, F ; Karsai, Ferenc ; Blaha, Peter Study of nonmagnetic and ferromagnetic fcc cerium with one-electron methodsPräsentation Presentation2014
270Tran, F Advanced DFT, hybrid functionals and LDA+UPräsentation Presentation2014
271Karsai, Ferenc ; Tiwald, Franz Paul ; Burgdörfer, Joachim ; Blaha, Peter ; Wirtz, Ludger ; Laskowski, Robert ; Tran, F ; Koller, David ; Gräfe, Stefanie The F Center in Lithium Fluoride revisited: comparison of solid-state physics and quantum-chemistry approachesPräsentation Presentation2014
272Blaha, Peter Introduction of DFT calculations for solids and surfacesPräsentation Presentation2013
273Blaha, Peter The F-center in LiFPräsentation Presentation2013
274Blaha, Peter Xanes and EELS calculations of L2,3 edges in transition-metal compoundsPräsentation Presentation2013
275Schwarz, Karlheinz Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) methodPräsentation Presentation2013
276Blaha, Peter An overview of the new WIEN2k packagePräsentation Presentation2013
277Blaha, Peter Introduction to WIEN2kPräsentation Presentation2013
278Schwarz, Karlheinz Electronic structure and the Wien ProgramPräsentation Presentation2013
279Blaha, Peter Highlights and future plans of P07Präsentation Presentation2013
280McDermott, Eamon Electronic Structure Study of Photocatalysts by Soft X-Ray Spectroscopy and Density Functional TheoryPräsentation Presentation2013