Extensions to GPAW

More documents

Recommendations

Info

TPD Experimente (TU München) 2 CO + O 2 → 2 CO 2 1. Cluster Deposition (90 K) 2. Sauers<strong>to</strong>ffzugabe 3. Zugabe von CO 22.5.2013 Michael Walter 29
Katalytisches Palladium 22.5.2013 Michael Walter 30
Page 1 and 2: Extensions to GPAW: from polarizabl
Page 3 and 4: Distinct approaches to missing vdW
Page 5 and 6: Application to the S26 test set =>
Page 7 and 8: Van der Waals Polymer-GO H3 B1 G1 2
Page 9 and 10: PTCDA HOMO LUMO 22.5.2013 Michael W
Page 11 and 12: Excellent comparison to experiment
Page 13 and 14: Evaluation of the terms Cavity Δ G
Page 15 and 16: Charged Systems ε ≠1 22.5.2013 M
Page 17 and 18: Larger range of molecules 22.5.2013
Page 19 and 20: Gold clusters in ionic liquids C[z]
Page 21 and 22: Thanks to Group Michael Moseler Rol
Page 23 and 24: Katalyse CO, NOx, CxHy Metallpartik
Page 25: TPD Experimente (TU München) 2 CO
Page 29 and 30: Organische Solarzellen ħ ω+D+A
Page 31: TPD Experimente (TU München) 2 CO

Extensions to GPAW

Create successful ePaper yourself

Delete template?

Save as template?