Blaha, Peter

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Blaha, Peter
 
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Own Publications Eigene Publikationen

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Subject:  DFT

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PreviewAuthor(s)TitleTypeIssue Date
1Li, Xia ; Haunold, Thomas ; Werkovits, Stefan ; Marks, Laurence D ; Blaha, Peter ; Rupprechter, Günther CO Adsorption and Disproportionation on Smooth and Defect-Rich Ir(111)Article Artikel 21-Apr-2022

Contributing Publications Mitbeteiligte Publikationen

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Subject:  DFT

Results 1-5 of 5 (Search time: 0.003 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Wimberger David - 2023 - Structural and energetic description of transition...pdf.jpgWimberger, David Structural and energetic description of transition metal compounds with advanced density functionalsThesis Hochschulschrift 2023
2Ruh Thomas - 2023 - Optimizing the Density Functional Theory Code WIEN2k.pdf.jpgRuh, Thomas Optimizing the Density Functional Theory code WIEN2kThesis Hochschulschrift 2023
3Belbase, Kamal The stress tensor in the augmented plane wave based methods and its implementation in the WIEN2k codeThesis Hochschulschrift2021
4Schmidtbauer, Hermine The adsorption mechanism of alkynol corrosion inhibitors on steel : quantum chemical calculations with WIEN2kThesis Hochschulschrift2013
5Haas, Philipp The generalized gradient approximation in solids and moleculesThesis Hochschulschrift2010