S. Debeer George

发表

Electronic structures of metal sites in proteins and models: contributions to function in blue copper proteins.

Robert K Szilagyi, E. Solomon, Edward I Solomon, 2004, Chemical reviews.

Sulfur K-edge X-ray absorption spectroscopy as a probe of ligand-metal bond covalency: metal vs ligand oxidation in copper and nickel dithiolene complexes.

K. Hodgson, C. Rovira, B. Hedman, 2007, Journal of the American Chemical Society.

Spectroscopic and density functional studies of the red copper site in nitrosocyanin: role of the protein in determining active site geometric and electronic structure.

K. Hodgson, B. Hedman, E. Solomon, 2005, Journal of the American Chemical Society.

Electronic structure of the [tris(dithiolene)chromium](z) (z = 0, 1-, 2-, 3-) electron transfer series and their manganese(IV) analogues. An X-ray absorption spectroscopic and density functional theoretical study.

K. Wieghardt, P. Banerjee, T. Weyhermüller, 2009, Inorganic chemistry.

X-ray spectroscopic approaches to the investigation and characterization of photochemical processes.

Erik C. Wasinger, P. Kennepohl, S. Debeer George, 2009, Journal of synchrotron radiation.

Characterization of a genuine iron(V)-nitrido species by nuclear resonant vibrational spectroscopy coupled to density functional calculations.

F. Neese, K. Wieghardt, N. Aliaga-Alcalde, 2007, Journal of the American Chemical Society.

Electronic structure description of the mu(4)-sulfide bridged tetranuclear Cu(Z) center in N(2)O reductase.

K. Hodgson, B. Hedman, E. Solomon, 2002, Journal of the American Chemical Society.

Spectroscopic investigation of stellacyanin mutants: axial ligand interactions at the blue copper site.

K. Hodgson, M. Hill, A. Nersissian, 2003, Journal of the American Chemical Society.

Anatomy of a red copper center: spectroscopic identification and reactivity of the copper centers of Bacillus subtilis Sco and its Cys-to-Ala variants.

S. Debeer George, M. Nilges, N. Blackburn, 2010, Journal of the American Chemical Society.

An electron-transfer series of high-valent chromium complexes with redox non-innocent, non-heme ligands.

Connie C. Lu, K. Wieghardt, E. Bill, 2008, Angewandte Chemie.

Highly oxidized diiron complexes: generation, spectroscopy, and stabilities.

E. Bill, E. Bothe, T. Glaser, 2009, Chemical communications.

Electronic structure of neutral and monoanionic tris(benzene-1,2-dithiolato)metal complexes of molybdenum and tungsten.

K. Wieghardt, T. Weyhermüller, E. Bothe, 2007, Inorganic chemistry.

Molecular and electronic structures of oxo-bis(benzene-1,2-dithiolato)chromate(V) monoanions. A combined experimental and density functional study.

F. Neese, K. Wieghardt, K. Ray, 2006, Inorganic chemistry.

Isolation and hydrogenation of a complex with a terminal iridium-nitrido bond.

A. Rogachev, P. Burger, S. Debeer George, 2009, Angewandte Chemie.

Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.

Frank Neese, Karl Wieghardt, F. Neese, 2007, Chemistry.

A mixed-valent pentanuclear Cu(II)(4)Cu(I) compound containing a radical-anion ligand.

E. Ruiz, S. Yasin, J. Reedijk, 2009, Inorganic chemistry.

Prediction of iron K-edge absorption spectra using time-dependent density functional theory.

Frank Neese, F. Neese, T. Petrenko, 2008, The journal of physical chemistry. A.

Electronic structures of [Ru(II)(cyclam)(Et(2)dtc)](+), [Ru(cyclam)(tdt)](+), and [Ru(cyclam)(tdt)](2+): an X-ray absorption spectroscopic and computational study (tdt = toluene-3,4-dithiolate; Et(2)dtc = N,N-diethyldithiocarbamate(1-)).

K. Wieghardt, E. Bill, T. Weyhermüller, 2009, Inorganic chemistry.

Fe L-edge X-ray absorption spectroscopy determination of differential orbital covalency of siderophore model compounds: electronic structure contributions to high stability constants.

K. Hodgson, R. Hocking, B. Hedman, 2010, Journal of the American Chemical Society.

Delocalized metal-metal and metal-ligand multiple bonding in a linear Ru-Ru[triple bond]N unit: elongation of a traditionally short Ru[triple bond]N bond.

J. Berry, J. Pap, S. Debeer George, 2008, Angewandte Chemie.

Characterization and electronic structures of five members of the electron transfer series [Re(benzene-1,2-dithiolato)3](z) (z = 1+, 0, 1-, 2-, 3-): a spectroscopic and density functional theoretical study.

K. Wieghardt, E. Bill, T. Weyhermüller, 2009, Inorganic chemistry.

Octahedral monodithiolene complexes of iron: characterization of S,S'-coordinated dithiolate(1-) pi radical monoanions: a spectroscopic and density functional theoretical investigation.

K. Wieghardt, E. Bill, T. Weyhermüller, 2009, Inorganic chemistry.

Fe L- and K-edge XAS of low-spin ferric corrole: bonding and reactivity relative to low-spin ferric porphyrin.

K. Hodgson, F. Walker, Z. Gross, 2009, Inorganic chemistry.

Electronic structure and spectroscopy of "superoxidized" iron centers in model systems: theoretical and experimental trends.

F. Neese, J. Berry, S. Debeer George, 2008, Physical chemistry chemical physics : PCCP.

A quantitative description of the ground-state wave function of Cu(A) by X-ray absorption spectroscopy: comparison to plastocyanin and relevance to electron transfer.

K. Hodgson, Yi Lu, W. Tolman, 2001, Journal of the American Chemical Society.

Type Zero Copper Proteins

Harry B. Gray, John H. Richards, H. Gray, 2009, Nature chemistry.

Calibration of scalar relativistic density functional theory for the calculation of sulfur K-edge X-ray absorption spectra.

Frank Neese, F. Neese, S. Debeer George, 2010, Inorganic chemistry.

Metal and ligand K-edge XAS of titanium-TEMPO complexes: determination of oxidation states and insights into Ti-O bond homolysis.

E. Solomon, Kuo‐Wei Huang, R. Waymouth, 2006, Inorganic chemistry.

Electronic structure and spectroscopy of "superoxidized" iron centers in model systems: theoretical and experimental trends.

F. Neese, J. Berry, S. Debeer George, 2008, Physical chemistry chemical physics : PCCP.