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Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings
Authors: Greco, Claudio; Silakov, Alexey; Bruschi, Maurizio; Ryde, Ulf; De Gioia, Luca; Lubitz, Wolfgang
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: European Journal of Inorganic Chemistry
Start Page: 1043
End Page: 1049
Document Type: Article
ID: 577552.0
A synthetic analogue of rieske-type [2Fe-2S] clusters
Authors: Ballmann, Joachim; Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Bothe, Eberhard; Ryde, Ulf; Meyer, Franc
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Angewandte Chemie-International Edition
Volume: 47
Issue / Number: 49
Start Page: 9537
End Page: 9541
Document Type: Article
ID: 404011.0
Secondary bonding interactions in biomimetic [2Fe-2S] clusters
Authors: Ballmann, Joachim; Dechert, Sebastian; Bill, Eckhard; Ryde, Ulf; Meyer, Franc
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Inorganic Chemistry
Volume: 47
Issue / Number: 5
Start Page: 1586
End Page: 1596
Document Type: Article
ID: 404016.0
Lactam hydrolysis catalyzed by mononuclear metallo-beta-lactamases: a density functional study
Authors: Olsen, Lars; Antony, Jens; Ryde, Ulf; Adolph, Hans-Werner; Hemmingsen, Lars
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Journal of Physical Chemistry / B
Volume: 107
Start Page: 2366
End Page: 2375
Document Type: Article
ID: 202007.0
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T)
Authors: Caldararu, Octav; Olsson, Martin A.; Riplinger, Christoph; Neese, Frank; Ryde, Ulf
Title of Journal: Journal of Computer-Aided Molecular Design
Volume: 31
Issue / Number: 1 Sp. Iss. SI
Start Page: 87
End Page: 106
Document Type: Article
ID: 733843.0
Entries: 1-5  
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