Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory
DeBeer George, Serena, Petrenko, Taras, Neese, Frank
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.2008)
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Journal Article
Description of the Ground-State Covalencies of the Bis(dithiolato) Transition-Metal Complexes from X-ray Absorption Spectroscopy and Time-Dependent Density-Functional Calculations
Ray, Kallol, DeBeer George, Serena, Solomon, Edward I., Wieghardt, Karl, Neese, Frank
Published in Chemistry : a European journal (01.01.2007)
Published in Chemistry : a European journal (01.01.2007)
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Journal Article
Isolation and Hydrogenation of a Complex with a Terminal Iridium-Nitrido Bond
Schöffel, Julia, Rogachev, Andrey Yu, DeBeer George, Serena, Burger, Peter
Published in Angewandte Chemie (International ed.) (01.01.2009)
Published in Angewandte Chemie (International ed.) (01.01.2009)
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Journal Article
Octahedral Coordination Complex of Iron(VI)
Berry, John F, Bill, Eckhard, Bothe, Eberhard, George, Serena DeBeer, Mienert, Bernd, Neese, Frank, Wieghardt, Karl
Published in Science (American Association for the Advancement of Science) (30.06.2006)
Published in Science (American Association for the Advancement of Science) (30.06.2006)
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Journal Article
Synthesis, Characterization, and Reactivities of Manganese(V)−Oxo Porphyrin Complexes
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
Published in Journal of the American Chemical Society (07.02.2007)
Published in Journal of the American Chemical Society (07.02.2007)
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Journal Article
Electron-Transfer Series of High-Valent Chromium Complexes with Redox Non-Innocent, Non-Heme Ligands
Lu, Connie C, DeBeer George, Serena, Weyhermüller, Thomas, Bill, Eckhard, Bothe, Eberhard, Wieghardt, Karl
Published in Angewandte Chemie (International ed.) (11.08.2008)
Published in Angewandte Chemie (International ed.) (11.08.2008)
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Journal Article
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
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
Published in Journal of the American Chemical Society (28.02.2007)
Published in Journal of the American Chemical Society (28.02.2007)
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Journal Article
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
Pap, József S, DeBeer George, Serena, Berry, John F
Published in Angewandte Chemie (International ed.) (01.01.2008)
Published in Angewandte Chemie (International ed.) (01.01.2008)
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Journal Article
Fe L-Edge X-ray Absorption Spectroscopy Determination of Differential Orbital Covalency of Siderophore Model Compounds: Electronic Structure Contributions to High Stability Constants
Hocking, Rosalie K, DeBeer George, Serena, Raymond, Kenneth N, Hodgson, Keith O, Hedman, Britt, Solomon, Edward I
Published in Journal of the American Chemical Society (24.03.2010)
Published in Journal of the American Chemical Society (24.03.2010)
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Journal Article
Nature of the Intermediate Formed in the Reduction of O2 to H2O at the Trinuclear Copper Cluster Active Site in Native Laccase
Lee, Sang-Kyu, George, Serena DeBeer, Antholine, William E, Hedman, Britt, Hodgson, Keith O, Solomon, Edward I
Published in Journal of the American Chemical Society (29.05.2002)
Published in Journal of the American Chemical Society (29.05.2002)
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Journal Article
Anatomy of a Red Copper Center: Spectroscopic Identification and Reactivity of the Copper Centers of Bacillus subtilis Sco and Its Cys-to-Ala Variants
Siluvai, Gnana S, Mayfield, Mary, Nilges, Mark J, DeBeer George, Serena, Blackburn, Ninian J
Published in Journal of the American Chemical Society (14.04.2010)
Published in Journal of the American Chemical Society (14.04.2010)
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Journal Article
Fe L- and K-edge XAS of Low-Spin Ferric Corrole: Bonding and Reactivity Relative to Low-Spin Ferric Porphyrin
Hocking, Rosalie K, George, Serena DeBeer, Gross, Zeev, Walker, F. Ann, Hodgson, Keith O, Hedman, Britt, Solomon, Edward I
Published in Inorganic chemistry (16.02.2009)
Published in Inorganic chemistry (16.02.2009)
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Journal Article
Vibrational Assignments of Six-Coordinate Ferrous Heme Nitrosyls: New Insight from Nuclear Resonance Vibrational Spectroscopy
Paulat, Florian, Berto, Timothy C, DeBeer George, Serena, Goodrich, Lauren, Praneeth, V. K. K, Sulok, Corinne D, Lehnert, Nicolai
Published in Inorganic chemistry (15.12.2008)
Published in Inorganic chemistry (15.12.2008)
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Journal Article
Polarized X-ray Absorption Spectroscopy of Single-Crystal Mn(V) Complexes Relevant to the Oxygen-Evolving Complex of Photosystem II
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
Published in Journal of the American Chemical Society (31.10.2007)
Published in Journal of the American Chemical Society (31.10.2007)
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Journal Article
Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
DeBeer George, Serena, Petrenko, Taras, Neese, Frank
Published in Inorganica Chimica Acta (03.03.2008)
Published in Inorganica Chimica Acta (03.03.2008)
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Journal Article
Spectroscopic Investigation of Stellacyanin Mutants: Axial Ligand Interactions at the Blue Copper Site
DeBeer George, Serena, Basumallick, Lipika, Szilagyi, Robert K, Randall, David W, Hill, Michael G, Nersissian, Aram M, Valentine, Joan S, Hedman, Britt, Hodgson, Keith O, Solomon, Edward I
Published in Journal of the American Chemical Society (17.09.2003)
Published in Journal of the American Chemical Society (17.09.2003)
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Journal Article
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
Banerjee, Priyabrata, Sproules, Stephen, Weyhermüller, Thomas, Debeer George, Serena, Wieghardt, Karl
Published in Inorganic chemistry (06.07.2009)
Published in Inorganic chemistry (06.07.2009)
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Journal Article