Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory von DeBeer George, Serena, Petrenko, Taras, Neese, Frank

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Description of the Ground-State Covalencies of the Bis(dithiolato) Transition-Metal Complexes from X-ray Absorption Spectroscopy and Time-Dependent Density-Functional Calculations von Ray, Kallol, DeBeer George, Serena, Solomon, Edward I., Wieghardt, Karl, Neese, Frank

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Isolation and Hydrogenation of a Complex with a Terminal Iridium-Nitrido Bond von Schöffel, Julia, Rogachev, Andrey Yu, DeBeer George, Serena, Burger, Peter

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Octahedral Coordination Complex of Iron(VI) von Berry, John F, Bill, Eckhard, Bothe, Eberhard, George, Serena DeBeer, Mienert, Bernd, Neese, Frank, Wieghardt, Karl

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Synthesis, Characterization, and Reactivities of Manganese(V)−Oxo Porphyrin Complexes von Song, Woon Ju, Seo, Mi Sook, DeBeer George, Serena, Ohta, Takehiro, Song, Rita, Kang, Min-Jung, Tosha, Takehiko, Kitagawa, Teizo, Solomon, Edward I, Nam, Wonwoo

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Electron-Transfer Series of High-Valent Chromium Complexes with Redox Non-Innocent, Non-Heme Ligands von Lu, Connie C, DeBeer George, Serena, Weyhermüller, Thomas, Bill, Eckhard, Bothe, Eberhard, Wieghardt, Karl

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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 von Sarangi, Ritimukta, DeBeer George, Serena, Rudd, Deanne Jackson, Szilagyi, Robert K, Ribas, Xavi, Rovira, Concepció, Almeida, Manuel, Hodgson, Keith O, Hedman, Britt, Solomon, Edward I

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Delocalized Metal-Metal and Metal-Ligand Multiple Bonding in a Linear Ru----Ru[triple chemical bond]N Unit: Elongation of a Traditionally Short Ru[triple chemical bond]N Bond von Pap, József S, DeBeer George, Serena, Berry, John F

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Fe L-Edge X-ray Absorption Spectroscopy Determination of Differential Orbital Covalency of Siderophore Model Compounds: Electronic Structure Contributions to High Stability Constan... von Hocking, Rosalie K, DeBeer George, Serena, Raymond, Kenneth N, Hodgson, Keith O, Hedman, Britt, Solomon, Edward I

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Nature of the Intermediate Formed in the Reduction of O2 to H2O at the Trinuclear Copper Cluster Active Site in Native Laccase von Lee, Sang-Kyu, George, Serena DeBeer, Antholine, William E, Hedman, Britt, Hodgson, Keith O, Solomon, Edward I

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Anatomy of a Red Copper Center: Spectroscopic Identification and Reactivity of the Copper Centers of Bacillus subtilis Sco and Its Cys-to-Ala Variants von Siluvai, Gnana S, Mayfield, Mary, Nilges, Mark J, DeBeer George, Serena, Blackburn, Ninian J

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Fe L- and K-edge XAS of Low-Spin Ferric Corrole: Bonding and Reactivity Relative to Low-Spin Ferric Porphyrin von Hocking, Rosalie K, George, Serena DeBeer, Gross, Zeev, Walker, F. Ann, Hodgson, Keith O, Hedman, Britt, Solomon, Edward I

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Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra von DeBeer George, Serena, Neese, Frank

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Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra von DeBeer George, Serena, Petrenko, Taras, Neese, Frank

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Vibrational Assignments of Six-Coordinate Ferrous Heme Nitrosyls: New Insight from Nuclear Resonance Vibrational Spectroscopy von Paulat, Florian, Berto, Timothy C, DeBeer George, Serena, Goodrich, Lauren, Praneeth, V. K. K, Sulok, Corinne D, Lehnert, Nicolai

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Electronic Structure of Neutral and Monoanionic Tris(benzene-1,2-dithiolato)metal Complexes of Molybdenum and Tungsten von Kapre, Ruta R, Bothe, Eberhard, Weyhermüller, Thomas, DeBeer George, Serena, Wieghardt, Karl

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Dimerization Processes of Square Planar [PtII(tbpy)(dithiolato•)]+ Radicals von Pap, József Sándor, Benedito, Flávio Luiz, Bothe, Eberhard, Bill, Eckhard, DeBeer George, Serena, Weyhermüller, Thomas, Wieghardt, Karl

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Polarized X-ray Absorption Spectroscopy of Single-Crystal Mn(V) Complexes Relevant to the Oxygen-Evolving Complex of Photosystem II von Yano, Junko, Robblee, John, Pushkar, Yulia, Marcus, Matthew A, Bendix, Jesper, Workman, José M, Collins, Terrence J, Solomon, Edward I, DeBeer George, Serena, Yachandra, Vittal K

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Electronic Structures of Metal Sites in Proteins and Models:  Contributions to Function in Blue Copper Proteins von Solomon, Edward I, Szilagyi, Robert K, DeBeer George, Serena, Basumallick, Lipika

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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 dens... von Banerjee, Priyabrata, Sproules, Stephen, Weyhermüller, Thomas, Debeer George, Serena, Wieghardt, Karl

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