| 56. | Resolution of Identity Approximation for the Coulomb Term in Molecular and Periodic Systems A. M. Burow, M. Sierka, F. Mohamed J. Chem. Phys. 2009, 131, 214101-1-214101-6 |
| 55. | One-Dimensional Polymers Based on Silver(I) Cations and Organometallic cyclo-P3 Ligand Complexes L. J. Gregoriades, B. K. Wegley, M. Sierka, E. Brunner, C. Gröger, E. V. Peresypkina, A. V. Virovets, M. Zabel, M. Scheer Chem. Asian J. 2009, 4, 1578-1587 |
| 54. | The [(Al2O3)2]– Anion Cluster: Electron Localization-Delocalization Isomerism M. Sierka, J. Döbler, J. Sauer, H.-J. Zhai, L.-S. Wang ChemPhysChem 2009, 10, 2410-2413 |
| 53. | Point Defects in CaF2 and CeO2 Investigated by the Periodic Electrostatic Embedded Cluster Method A. M. Burow, M. Sierka, J. Döbler, J. Sauer J. Chem. Phys. 2009, 130, 174710-1-174710-11 |
| 52. | Vanadium Oxides Supported on a Thin Silica Film Grown on Mo(112): Insights from Density Functional Theory T. Todorova, J. Döbler, M. Sierka, J. Sauer J. Phys. Chem. C 2009, 113, 8336-8342 |
| 51. | The Complexed Triphosphaallyl Radical, Cation, and Anion Family M. Scheer, C. Kuntz, M. Stubenhofer, M. Linseis, R. F. Winter, M. Sierka Angew. Chem. Int. Ed. 2009, 48, 2600-2604; Angew. Chem. 2009, 121, 2638-2642 |
| 50. | Effect of Al-Si-Al and Al-Si-Si-Al Pairs in the ZSM-5 Zeolite Framework on the 27Al NMR Spectra. A Combined High Resolution 27Al NMR and DFT/MM Study J. Dedecek, S. Sklenak, C. Li, B. Wichterlová, V. Gábová, J. Brus, M. Sierka, J. Sauer J. Phys. Chem. C 2009, 113, 1447-1458 |
| 49. | Aluminum Siting in the ZSM-5 Framework by Combination of High Resolution 27Al NMR Spectroscopy and DFT/MM Calculations S. Sklenak, J. Dedecek, C. Li, B. Wichterlová, V. Gábová, M. Sierka, J. Sauer Phys. Chem. Chem. Phys. 2009, 11, 1237-1247 |
| 48. | Identification of Conical Structures in Small Aluminium Oxide Clusters: Infrared Spectroscopy of (Al2O3)1-4(AlO)+ G. Santambrogio, E. Janssens, S. Li, T. Siebert, G. Meijer, K. R. Asmis, J. Döbler, M. Sierka, J. Sauer J. Am. Chem. Soc. 2008, 130, 15143-15149 |
| 47. | Formation of One-Dimensional Molybdenum Oxide on Mo(112) S. Kaya, J. Weissenrieder, D. Stacchiola, T. K. Todorova, M. Sierka, J. Sauer, S. Shaikhutdinov, H.-J. Freund Surf. Sci. 2008, 602, 3338-3342 |
| 46. | Gas Phase Vibrational Spectroscopy of Mass-Selected Vanadium Oxide Cluster Anions G. Santambrogio, M. Brümmer, L. Wöste, J. Döbler, M. Sierka, J. Sauer, G. Meijer, K. R. Asmis Phys. Chem. Chem. Phys. 2008, 10, 3992-4005 |
| 45. | Physisorption and Chemisorption of Hydrocarbons in H-FAU Using QM-Pot(MP2//B3LYP) Calculations B. A. De Moor, M.-F. Reyniers, M. Sierka, J. Sauer, G. B. Marin J. Phys. Chem. C 2008, 112, 11796-11812 |
| 44. | Application of Semiempirical Long-Range Dispersion Corrections to Periodic Systems in Density Functional Theory T. Kerber, M. Sierka, J. Sauer J. Comput. Chem. 2008, 29, 2088-2097 |
2008-2009
Projects
