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Entries: 1-10  
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Simulation of 59Co NMR chemical shifts in aqueous solution
Authors: Bühl, M.; Grigoleit, S.; Kabrede, H.; Mauschick, F. T.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Chemistry-A European Journal
Volume: 12
Start Page: 477
End Page: 488
Document Type: Article
ID: 265867.0
Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride
Authors: Bühl, M.; Chaumont, A.; Schurhammer, R.; Wipff, G.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Physical Chemistry B
Volume: 109
Issue / Number: 39
Start Page: 18591
End Page: 18599
Document Type: Article
ID: 265252.0
Computational 59Co NMR spectroscopy: Beyond static molecules
Authors: Grigoleit, S.; Bühl, M.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Chemical Theory and Computation
Volume: 1
Issue / Number: 2
Start Page: 181
End Page: 193
Document Type: Article
ID: 265315.0
Computational NMR spectroscopy of transition-metal/nitroimidazole complexes: Theoretical investigation of potential radiosensitizers
Authors: Ramalho, T. C.; Bühl, M.; Figueroa-Villar, J. D.; Bicca de Alencastro, R.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Helvetica Chimica Acta
Volume: 88
Issue / Number: 10
Start Page: 2705
End Page: 2721
Document Type: Article
ID: 265317.0
Computational study of structures and properties of metallaboranes: Cobalt bis(dicarbollide)
Authors: Bühl, M.; Hnyk, D.; Machaček, J.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Chemistry-A European Journal
Volume: 11
Start Page: 4109
End Page: 4120
Document Type: Article
ID: 265318.0
Coordination environment of aqueous uranyl(VI) ion
Authors: Bühl, M.; Diss, R.; Wipff, G.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of the American Chemical Society
Volume: 127
Issue / Number: 39
Start Page: 13506
End Page: 13507
Document Type: Article
ID: 265338.0
Molecular dynamics of a vanadate-dipeptide complex in aqueous solution
Authors: Bühl, M.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Inorganic Chemistry
Volume: 44
Issue / Number: 18
Start Page: 6277
End Page: 6283
Document Type: Article
ID: 265687.0
Molecular dynamics of neutral and protonated ferrocene"
Authors: Bühl, M.; Grigoleit, S.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Organometallics
Volume: 24
Issue / Number: 7
Start Page: 1516
End Page: 1527
Document Type: Article
ID: 265688.0
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Authors: Ramalho, T. C.; Bühl, M.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Magnetic Resonance in Chemistry
Volume: 43
Issue / Number: 2
Start Page: 139
End Page: 146
Document Type: Article
ID: 265835.0
Synthesis, structure, theoretical studies, and ligand exchange reactions of monomeric, T-shaped arylpalladium(II) halide complexes with an additional, weak agostic interaction
Authors: Stambuli, J. P.; Incarvito, C. D.; Bühl, M.; Hartwig, J. F.
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Journal of the American Chemical Society
Volume: 126
Issue / Number: 4
Start Page: 1184
End Page: 1194
Document Type: Article
ID: 218279.0
Entries: 1-10  
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