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2011
Mark Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings
Greco, Claudio ; Silakov, Alexey ; Bruschi, Maurizio ; Ryde, Ulf ^LU ; De Gioia, Luca and Lubitz, Wolfgang (2011) In European Journal of Inorganic Chemistry p.1043-1049
- Contribution to journal › Article
2010
Mark Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FB=MF2
Wang, Xuefeng ; Roos, Björn ^LU and Andrews, Lester (2010) In Angewandte Chemie (International edition) 49(1). p.157-160
- Contribution to journal › Article
Mark One-Dimensional Oxide-Metal Hybrid Structures: Site-Specific Enhanced Reactivity for CO Oxidation
Surnev, Svetlozar ; Allegretti, Francesco ; Parteder, Georg ; Franz, Thomas ; Mittendorfer, Florian ; Andersen, Jesper N ^LU and Netzer, Falko P. (2010) In ChemPhysChem 11(12). p.2506-2509
- Contribution to journal › Article
2009
Mark Direct Visualization of the Chemical Mechanism in SERRS of 4-Aminothiophenol/Metal Complexes and Metal/4-Aminothiophenol/Metal Junctions
Sun, Mengtao ^LU and Xu, Hongxing ^LU (2009) In ChemPhysChem 10(2). p.392-399
- Contribution to journal › Article
Mark Influence of the [2Fe](H) Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
Bruschi, Maurizio ; Greco, Claudio ; Kaukonen, Markus ^LU ; Fantucci, Piercarlo ; Ryde, Ulf ^LU and De Gioia, Luca (2009) In Angewandte Chemie (International edition) 48(19). p.3503-3506
- Contribution to journal › Article
2008
Mark Acid-Catalyzed Nucleophilic Aromatic Substitution: Experimental and Theoretical Exploration of a Multistep Mechanism.
Jacobsson, Mårten ^LU ; Oxgaard, Jonas ; Abrahamsson, Carl-Olof ; Norrby, Per-Ola ; Goddard, William A and Ellervik, Ulf ^LU (2008) In Chemistry: A European Journal 14(13). p.3954-3960
- Contribution to journal › Article
Mark Stressing Pd atoms: Initial oxidation of the Pd(110) surface
Westerström, Rasmus ^LU ; Weststrate, C. J. ; Resta, Andrea ^LU ; Mikkelsen, Anders ^LU ; Schnadt, Joachim ^LU ; Andersen, Jesper N ^LU ; Lundgren, Edvin ^LU ; Schmid, M. ; Seriani, N. and Harl, J. , et al. (2008) In Surface Science 602(14). p.2440-2447
- Contribution to journal › Article
Mark Step enhanced dehydrogenation of ethanol on Rh
Resta, Andrea ^LU ; Gustafson, Johan ^LU ; Westerström, Rasmus ^LU ; Mikkelsen, Anders ^LU ; Lundgren, Edvin ^LU ; Andersen, Jesper N ^LU ; Yang, Ming-Mei ; Ma, Xiu-Fang ; Bao, Xin-He and Li, Wei-Xue (2008) In Surface Science 602(18). p.3057-3063
- Contribution to journal › Article
Mark Simple N UF3 and P UF3 molecules with triple bonds to uranium
Andrews, Lester ; Wang, Xuefeng ; Lindh, Roland ^LU ; Roos, Bjorn O. and Marsden, Colin J. (2008) In Angewandte Chemie (International edition) 47(29). p.5366-5370
- Contribution to journal › Article
2006
Mark A quantum chemical study of the quintuple bond between two chromium centers in [PhCrCrPh]: trans-bent versus linear geometry
Brynda, M ; Gagliardi, L ; Widmark, Per-Olof ^LU ; Power, PP and Roos, Björn ^LU (2006) In Angewandte Chemie (International edition) 45(23). p.3804-3807
- Contribution to journal › Article

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