Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Nathalie Godbout"'
Autor:
Michael T. McMahon, Scott R. Wilson, Nathalie Godbout, Eric Oldfield, Lori K. Sanders, Anatoliy Volkov, Philip Coppens, William D. Arnold, Guang Wu
Publikováno v:
Journal of the American Chemical Society. 122:4708-4717
We have investigated the charge density, ρ(r), its curvature, ∂2ρ/∂rij, the dipole moment, μ, and the electrostatic potential, Φ(r), in l-asparagine monohydrate by using high-resolution single-crystal X-ray crystallography and quantum chemist
Autor:
Renzo Salzmann, Michael T. McMahon, Nathalie Godbout, Lori K. Sanders, Mark Wojdelski, Eric Oldfield
Publikováno v:
Journal of the American Chemical Society. 121:3818-3828
Autor:
Renzo Salzmann, Eric Oldfield, Nathalie Godbout, Lori K. Sanders, Mark Wojdelski, Michael T. McMahon
Publikováno v:
Journal of the American Chemical Society. 121:3829-3844
We have synthesized and studied via solid-state NMR, Mossbauer spectroscopy, single-crystal X-ray diffraction, and density functional theory the following Fe−O2 analogue metalloporphyrins: Fe(5,10,15,20-tetraphenylporphyrinate) (nitrosobenzene)(1-m
Autor:
Christopher J. Ziegler, Kenneth S. Suslick, Eric Oldfield, Renzo Salzmann, Nathalie Godbout, Michael T. McMahon
Publikováno v:
Journal of the American Chemical Society. 120:11323-11334
We have synthesized and characterized via single-crystal X-ray diffraction methods iron(II), ruthenium(II), and osmium(II) carbonyl derivatives of (1-methylimidazole)(5,10,15,20-tetraphenylporphyri...
Autor:
Robert H. Havlin, Hongbiao Le, Renzo Salzmann, David D. Laws, Nathalie Godbout, Michael T. McMahon, Angel C. DeDios, Eric Oldfield
Publikováno v:
Journal of the American Chemical Society. 120:4784-4797
We have investigated the question of how CO ligands bind to iron in metalloporphyrins and metalloproteins by using a combination of nuclear magnetic resonance (NMR), 57Fe Mossbauer, and infrared sp...
Autor:
Charles E. Schulz, Renzo Salzmann, William A. Arnold, Robert H. Havlin, Mark Wojdelski, Nathalie Godbout, Eric Oldfield
Publikováno v:
Journal of the American Chemical Society. 120:3144-3151
We have investigated the 57Fe Mossbauer quadrupole splittings in the following compounds by using density functional theory, and in some cases via experiment: Fe(CO)3(cyclo-butadiene), Fe(CO)5, Fe(CO)3(1,4−butadiene), CpFe(CO)2Me, Fe(CO)3(propenal)
Publikováno v:
The Journal of Physical Chemistry A. 102:2342-2350
We have evaluated the 57Fe nuclear magnetic resonance chemical shielding and Mossbauer electric field gradient tensors and their orientations for a cytochrome c model compound as well as for isopropyl isocyanide and carbon monoxy−myoglobin model sy
Autor:
Nathalie Godbout, Hongbiao Le, Robert H. Havlin, Lori K. Sanders, John G. Pearson, Eric Oldfield
Publikováno v:
Journal of the American Chemical Society. 119:11941-11950
We have investigated the carbon-13 solution nuclear magnetic resonance (NMR) chemical shifts of Cα, Cβ, and Cγ carbons of 19 valine residues in a vertebrate calmodulin, a nuclease from Staphylococcus aureus, and a ubiquitin. Using empirical chemic
Autor:
Nathalie Godbout, Eric Oldfield
Publikováno v:
Journal of the American Chemical Society. 119:8065-8069
A density functional method has been used to successfully predict the isotropic 59Co nuclear magnetic resonance (NMR) chemical shifts of the following anionic, cationic and neutral Co(III) complexes: [Co(CN)6]3-, [Co(NH3)6]3+, [Co(NO2)6]3-, [Co(NH3)4
Autor:
Michael T. McMahon, Eric Oldfield, William D. Arnold, Benjamin Moreno, Christina M. Szabo, Lori K. Sanders, Joshua S. Grimley, Nathalie Godbout
Publikováno v:
ChemInform. 31