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Entries: 1-10  
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Structure of the nucleotide radical formed during reaction of CDP/TTP with the E441Q-α2β2 of E. coli ribonucleotide reductase.
Authors: Zipse, H.; Artin, E.; Wnuk, S.; Lohmann, G. J. S.; Martino, D.; Griffin, R. G.; Kacprzak, S.; Kaupp, M.; Hoffmann, B.; Bennati, M.; Stubbe, J.; Lees, N.
Date of Publication (YYYY-MM-DD): 2009-01-14
Title of Journal: Journal of the American Chemical Society
Volume: 131
Issue / Number: 1
Start Page: 200
End Page: 211
Document Type: Article
ID: 426940.0
Structure of the Nitrogen-Centered Radical Formed during Inactivation of E. coli Ribonucleotide Reductase by 2'-Azido-2'-deoxyuridine-5'-diphosphate: Trapping of the 3'-Ketonucleotide
Authors: Fritscher, J.; Artin, E.; Wnuck, S.; Bar, G.; Robblee, J.; Kacprzak, S.; Kaupp, M.; Griffin, R. G.; Bennati, M.; Stubbe, J.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of the American Chemical Society
Volume: 127
Issue / Number: 21
Start Page: 7729
End Page: 7738
Document Type: Article
ID: 328108.0
In situ study on the wet chemical synthesis of nanoscopic Pt colloids by "reductive stabilization"
Authors: Angermund, K.; Bühl, M.; Endruschat, U.; Mauschick, F. T.; Mörtel, R.; Mynott, R.; Tesche, B.; Waldöfner, N.; Bönnemann, H.; Köhl, G.; Modrow, H.; Hormes, J.; Dinjus, E.; Gassner, F.; Haubold, H.-G.; Vad, T.; Kaupp, M.
Date of Publication (YYYY-MM-DD): 2003-07-31
Title of Journal: Journal of Physical Chemistry B
Volume: 107
Issue / Number: 30
Start Page: 7507
End Page: 7515
Document Type: Article
ID: 119141.0
Multifrequency EPR study and density functional g-tensor calculations of persistent organorhenium radical complexes
Authors: Frantz, S.; Hartmann, H.; Doslik, N.; Wanner, M.; Kaim, W.; Kümmerer, H.-J.; Denninger, G.; Barra, A. L.; Duboc-Toia, C.; Fiedler, J.; Ciofini, I.; Urban, C.; Kaupp, M.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: Journal of the American Chemical Society
Volume: 124
Issue / Number: 35
Start Page: 10563
End Page: 10571
Document Type: Article
ID: 7512.0
Study of relativistic effects on nuclear shieldings using density-functional theory and spin-orbit pseudopotentials
Authors: Vaara, J.; Malkina, O. L.; Stoll, H.; Malkin, V. G.; Kaupp, M.
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Journal of Chemical Physics
Volume: 114
Start Page: 61
End Page: 71
Document Type: Article
ID: 182768.0
Density functional calculations of electronic g-tensors using spin-orbit pseudopotentials and mean-field all-electron spin-orbit operators
Authors: Malkina, O. L.; Vaara, J.; Schimmelpfennig, B.; Munzarova, M.; Malkin, V. G.; Kaupp, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Journal of the American Chemical Society
Volume: 122
Start Page: 9206
End Page: 9218
Document Type: Article
ID: 181655.0
Density functional calculations of NMR and EPR parameters for heavy-element compounds
Authors: Kaupp, M.; Vaara, J.; Munzarova, M.; Malkina, O. L.; Malkin, V. G.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Abstracts of Papers of the American Chemical Society
Volume: 219
Document Type: Article
ID: 182002.0
Density functional study of 17O NMR chemical shift and nuclear quadrupole coupling tensors in oxyheme model complexes
Authors: Kaupp, M.; Rovira, C.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: The Journal of Physical Chemistry B
Volume: 104
Start Page: 5200
End Page: 5208
Document Type: Article
ID: 181557.0
A critical validation of density functional and coupled-cluster approaches for the calculation of EPR hyperfine coupling constants in transition metal complexes.
Authors: Munzarova, M.; Kaupp, M.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Journal of Physical Chemistry A
Volume: 103
Start Page: 9966
End Page: 9983
Document Type: Article
ID: 180942.0
Charting no-man's land in d0 transition metal six-coordination: structure predictions for the complexes [WCl5CH3], [WCl4(CH3)2], and [WCl3(CH3)3].
Authors: Kaupp, M.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Angewandte Chemie, International Edition
Volume: 38
Start Page: 3034
End Page: 3037
Document Type: Article
ID: 180796.0
Entries: 1-10  
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