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Entries: 1-4  
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A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin Hydrogenation
Authors: Anoop, A.; Thiel, W.; Neese, F.
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Journal of Chemical Theory and Computation
Volume: 6
Start Page: 3137
End Page: 3144
Document Type: Article
ID: 534739.0
Calculating absorption shifts for retinal proteins: Computational challenges
Authors: Wanko, M.; Hoffmann, M.; Strodet, P.; Koslowski, A.; Thiel, W.; Neese, F.; Frauenheim, T.; Elstner, M.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Physical Chemistry B
Volume: 109
Issue / Number: 8
Start Page: 3606
End Page: 3615
Document Type: Article
ID: 265279.0
Toward identification of the Compound I reactive intermediate in cytochrome P450 chemistry: A QM/MM study of its EPR and Mossbauer parameters
Authors: Schöneboom, J. C.; Neese, F.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of the American Chemical Society
Volume: 127
Issue / Number: 16
Start Page: 5840
End Page: 5853
Document Type: Article
ID: 265946.0
Mechanism of the six-electron reduction of nitrite to ammonia by cytochrome c nitrite reductase
Authors: Einsle, O.; Messerschmidt, A.; Huber, R.; Kroneck, P. M. H.; Neese, F.
Date of Publication (YYYY-MM-DD): 2002-10-02
Title of Journal: Journal of the American Chemical Society
Volume: 124
Issue / Number: 39
Start Page: 11737
End Page: 11745
Document Type: Article
ID: 41732.0
Entries: 1-4  
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