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2005
Mark Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
Kongsted, Jacob ^LU ; Pedersen, Thomas ^LU ; Strange, M ; Osted, A ; Hansen, A E ; Mikkelsen, K V ; Pawlowski, F ; Jorgensen, P and Hattig, C (2005) In Chemical Physics Letters 401(4-6). p.385-392
- Contribution to journal › Article
Mark Theoretical study of PbO and the PbO anion
Ilias, M ; Jensen, H J A ; Kello, V ; Roos, Björn ^LU and Urban, M (2005) In Chemical Physics Letters 408(4-6). p.210-215
- Contribution to journal › Article
Mark Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad
Sun, Mengtao ^LU ; Song, P ; Chen, Yuehui and Ma, Fencai (2005) In Chemical Physics Letters 416(1-3). p.94-99
- Contribution to journal › Article
Mark Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex
Sun, Mengtao ^LU ; Li, Yuanzuo and Ma, Fenfcai (2005) In Chemical Physics Letters 412(4-6). p.425-429
- Contribution to journal › Article
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 Water adsorption on O-covered Ru {0001}: Coverage-dependent change from dissociation to molecular adsorption
Gladys, MJ ; Mikkelsen, Anders ^LU ; Andersen, Jesper N ^LU and Held, G (2005) In Chemical Physics Letters 414(4-6). p.311-315
- Contribution to journal › Article
Mark A molecule wired: Electrostatic investigation
Hansen, Thorsten ; Pedersen, Thomas ^LU and Mikkelsen, Kurt V (2005) In Chemical Physics Letters 405(1-3). p.118-122
- Contribution to journal › Article
Mark Excited state properties of acceptor-substitute carotenoids: 2D and 3D real-space analysis
Sun, Mengtao ^LU ; Kjellberg, Pär ^LU ; Ma, Fengcai and Pullerits, Tönu ^LU (2005) In Chemical Physics Letters 401(4-6). p.558-564
- Contribution to journal › Article
Mark Intramolecular charge transfer and locally excited states of the fullerene-linked quarter-thiophenes dyad
Sun, Mengtao ^LU ; Chen, Yuehui ; Song, Peng and Ma, Fengcai (2005) In Chemical Physics Letters 413(1-3). p.110-117
- Contribution to journal › Article
Mark Energy transfer and conformational dynamics in Zn-porphyrin dendrimers
Larsen, Jane ^LU ; Andersson, Johan ^LU ; Polivka, Tomas ^LU ; Sly, J ; Crossley, M J ; Sundström, Villy ^LU and Åkesson, Eva ^LU (2005) In Chemical Physics Letters 403(1-3). p.205-210
- Contribution to journal › Article

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