Publikationen von M. P. Waller
Alle Typen
Zeitschriftenartikel (6)
2009
Zeitschriftenartikel
113, S. 4456 - 4465 (2009)
51V NMR Chemical Shifts Calculated from QM/MM Models of Peroxo Forms of Vanadium Haloperoxidases. Journal of Physical Chemistry B 2008
Zeitschriftenartikel
112, S. 5813 - 5823 (2008)
V-51 NMR chemical shifts from quantum-mechanical/molecular-mechanical models of vanadium bromoperoxidase. Journal of Physical Chemistry B 2007
Zeitschriftenartikel
46, S. 11297 - 11307 (2007)
The presumption of innocence? A DFT-directed verdict on oxidized amavadin and vanadium catecholate complexes. Inorganic Chemistry
Zeitschriftenartikel
3, S. 2234 - 2242 (2007)
Geometries of second-row transition-metal complexes from density-functional theory. Journal of Chemical Theory and Computation
Zeitschriftenartikel
28, S. 1531 - 1537 (2007)
Vibrational corrections to geometries of transition metal complexes from density functional theory. Journal of Computational Chemistry
Zeitschriftenartikel
13, S. 4723 - 4732 (2007)
⁵¹V NMR chemical shifts calculated from QM/MM models of vanadium chloroperoxidase. Chemistry-A European Journal