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 301-320 of 601 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
301Schwarz, Karlheinz Large scale applications with WIEN2kPräsentation Presentation2012
302Blaha, Peter Calculations of NMR chemical shifts and quadrupole splittings in inorganic solidsPräsentation Presentation2012
303Sangiovanni, Giorgio ; Assmann, Elias ; Blaha, Peter ; Held, Karsten ; Okamoto, Satoshi Theoretical Study of Orbital-, Spin- and Charge-Reconstruction in LVO/STO HeterostructuresPräsentation Presentation2012
304Assmann, Elias ; Blaha, Peter ; Held, Karsten ; Okamoto, Satoshi ; Sangiovanni, Giorgio Oxide Heterostructures for Efficient Solar CellsPräsentation Presentation2012
305Assmann, Elias ; Sangiovanni, Giorgio ; Laskowski, Robert ; Blaha, Peter ; Held, Karsten ; Okamoto, Satoshi Bulk and interface properties of Lantanum vanadate: Correlated Heterostructures for Fun and ProfitPräsentation Presentation2012
306Laskowski, Robert ; Blaha, Peter Origin of NMR chemical shiftsPräsentation Presentation2012
307Blaha, Peter DFT based simulations of solids using WIEN2kPräsentation Presentation2012
308Laskowski, Robert ; Blaha, Peter Interpretation of the NMR chemical shifts in alkali fluorides by ab-initio calculationsPräsentation Presentation2012
309Schwarz, Karlheinz From formalism via computer simulations towards novel materialsPräsentation Presentation2012
310Blaha, Peter Interpretation of NMR and XAS spectroscopies by ab initio calculationsPräsentation Presentation2012
311Laskowski, Robert X-ray spectroscopy from first principles: single electron approach and beyondPräsentation Presentation2012
312Blaha, Peter DFT calculations for surfaces and interfacesPräsentation Presentation2012
313Blaha, Peter DFT Tutorium (Wien2k)Präsentation Presentation2012
314Tran, F ; Koller, David ; Karsai, Ferenc ; Blaha, Peter ; Botana, Antia Hybrid functionals in WIEN2k: implementation and applicationsPräsentation Presentation2012
315Koller, David ; Tran, F ; Blaha, Peter Analysis and Improvement of the modified Becke-Johnson exchange potentialPräsentation Presentation2012
316Tran, F Hybrid functionals in WIEN2k: implementation and applicationsPräsentation Presentation2012
317Kabliman, Evgeniya ; Ruban, Andrei ; Peil, Oleg ; Blaha, Peter ; Schwarz, Karlheinz ; Johansson, B. Ab initio-based mean field theory of site occupation in binary sigma phasesPräsentation Presentation2012
318Schwarz, Karlheinz The all-electron approach for solids and surfaces with Wien2kPräsentation Presentation2011
319Schwarz, Karlheinz Ab-initio calculations of solids and surfacesPräsentation Presentation2011
320Blaha, Peter ; Koller, David Results of advanced DFT functionals with WIEN2kPräsentation Presentation2011