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Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory |
Authors: Havu, Paula; Blum, Volker; Havu, Ville; Rinke, Patrick; Scheffler, Matthias | Date of Publication (YYYY-MM-DD): 2010-10-25 | Title of Journal: Physical Review B | Volume: 82 | Sequence Number of Article: 161418(R) | Document Type: Article | ID: 502392.0 |
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Secondary Structure of Ac-Alan-LysH+ Polyalanine Peptides (n = 5,10,15) in Vacuo: Helical or Not? |
Authors: Rossi, Mariana; Blum, Volker; Kupser, Peter; Helden, Gert van; Bierau, Frauke; Pagel, Kevin; Meijer, Gerard; Scheffler, Matthias | Date of Publication (YYYY-MM-DD): 2010 | Title of Journal: The Journal of Physical Chemistry Letters | Volume: 1 | Issue / Number: 24 | Start Page: 3465 | End Page: 3470 | Document Type: Article | ID: 533815.0 |
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Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions |
Authors: Havu, Ville; Blum, Volker; Havu, Paula; Scheffler, Matthias | Date of Publication (YYYY-MM-DD): 2009-08-21 | Title of Journal: Journal of Computational Physics | Volume: 228 | Issue / Number: 22 | Start Page: 8367 | End Page: 8370 | Document Type: Article | ID: 434349.0 |
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Accuracy of first-principles lateral interactions: Oxygen at Pd(100) |
Authors: Zhang, Yongsheng; Blum, Volker; Reuter, Karsten | Date of Publication (YYYY-MM-DD): 2007-06-06 | Title of Journal: Physical Review B | Volume: 75 | Issue / Number: 23 | Start Page: 235406-1 | End Page: 235406-14 | Document Type: Article | ID: 315477.0 |
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The Pd(1 0 0)-(√5 x √5)R27°-O surface oxide: A LEED, DFT and STM study |
Authors: Kostelník, Petr; Seriani, Nicola; Kresse, Georg; Mikkelsen, Anders; Lundgren, Edvin; Blum, Volker; Sikola, Tomas; Varga, Peter; Schmid, Michael | Date of Publication (YYYY-MM-DD): 2007-01-25 | Title of Journal: Surface Science | Volume: 601 | Issue / Number: 6 | Start Page: 1574 | End Page: 1581 | Document Type: Article | ID: 337769.0 |
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