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2006
Mark DFT Modeling of Bare and Dye-sensitized TiO2 Nanocrystals
Lundqvist, M. J. ; Nilsing, M. and Persson, Petter ^LU (2006) In International Journal of Quantum Chemistry 106(15). p.3214-3234
- Contribution to journal › Article
Mark Quantum-chemical calculations of dye-sensitized semiconductor nanocrystals
Persson, Petter ^LU ; Lundqvist, M ; Nilsing, M ; Van Duin, A.C.T. and Goddard III, W.A. (2006) Conference on Physical Chemistry of Interfaces and Nanomaterials V 6325. p.3250-3250
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
2005
Mark Anchor Group Influence on Molecule-Metal Oxide Interfaces: Periodic Hybrid DFT Study of Pyridine Bound to TiO2 via Carboxylic and Phosphonic Acid
Nilsing, M. ; Persson, Petter ^LU and Ojamäe, L. (2005) In Chemical Physics Letters 415(4-6). p.375-380
- Contribution to journal › Letter
Mark Phosphonic Acid Adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations
Nilsing, M. ; Lunell, S. ; Persson, Petter ^LU and Ojamäe, L. (2005) In Surface Science 582(1-3). p.49-60
- Contribution to journal › Article