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2006
Mark Quantum Chemical Study of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals
Persson, Petter ^LU ; Lundqvist, M. J. ; Ernstorfer, R. ; Goddard III, W. A. and Willig, Frank (2006) In Journal of Chemical Theory and Computation 2(2). p.441-451
- 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
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 Structure of Tetrafluorocyclopropane, Hexafluorocyclobutene, Octofluorocyclopentene, and Related Perfluoroalkene Radical Anions Revealed by ESR Spectroscopic and Computational Studies
Shiotani, M. ; Persson, Petter ^LU ; Lunell, S. ; Lund, A. and Williams, Ff. (2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(19). p.6307-6323
- Contribution to journal › Article
Mark Electronic Coupling Calculations for Ultrafast Photoinduced Charge-Transfer Processes from Aromatic Adsorbates to TiO2 Nanocrystals
Persson, Petter ^LU and Lundqvist, M. J. (2006) 2004-22(Electron Transfer in Nanomaterials). p.27-37
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
Mark Photochemistry of bromofluorobenzenes
Borg, OA ; Liu, Ya-Jun ^LU ; Persson, Petter ^LU ; Lunell, S ; Karlsson, D ; Kadi, M and Davidsson, J (2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(22). p.7045-7056
- Contribution to journal › Article
Mark Development of the ReaxFF Reactive Force Field for Mechanistic Studies of Catalytic Selective Oxidation Processes on BiMoOx
Goddard III, W. A. ; van Duin, A. C. T. ; Chenoweth, K. ; Cheng, M.-J. ; Pudar, S. ; Oxgaard, J. ; Merinov, B. ; Yang, Y. H. and Persson, Petter ^LU (2006) In Topics in Catalysis 38(1-3). p.93-103
- Contribution to journal › Article
Mark Spacer and anchor effects on the electronic coupling in ruthenium-bis-terpyridine dye-sensitized TiO2 nanocrystals studied by DFT
Lundqvist, Maria J. ; Nilsing, Mattias ; Lunell, Sten ; Akermark, Bjorn and Persson, Petter ^LU (2006) In The Journal of Physical Chemistry Part B 110(41). p.20513-20525
- Contribution to journal › Article
2005
Mark Direct ESR Evidence for SH2 Type Reaction of a Methyl Radical with Methylsilane and Methylgermane in a Low Temperature Solid: a Deuterium Labelling Study
Komaguchi, K. ; Norberg, D. ; Nakazawa, N. ; Shiotani, M. ; Persson, Petter ^LU and Lunell, Sten (2005) In Chemical Physics Letters 410(1-3). p.1-5
- Contribution to journal › Letter
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

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