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The last 5 uploaded publications
Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
Edward I. Solomon, Thomas C. Brunold, Mindy I. Davis, JYLLIAN KEMSLEY, Sang‐Kyu Lee, Nicolai Lehnert, Frank Neese, Andrew J. Skulan, Yishan Yang, Jing Zhou (1999). Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes. Chemical Reviews, 100(1), pp. 235-350, DOI: 10.1021/cr9900275.
Article174 days agoCalculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric Complexes
Frank Neese, Edward I. Solomon (1998). Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric Complexes. Inorganic Chemistry, 37(26), pp. 6568-6582, DOI: 10.1021/ic980948i.
Article169 days agoMCD <i>C</i>-Term Signs, Saturation Behavior, and Determination of Band Polarizations in Randomly Oriented Systems with Spin <i>S</i> ≥ <sup>1</sup>/<sub>2</sub>. Applications to <i>S</i> = <sup>1</sup>/<sub>2</sub> and <i>S</i> = <sup>5</sup>/<sub>2</sub>
Frank Neese, Edward I. Solomon (1999). MCD <i>C</i>-Term Signs, Saturation Behavior, and Determination of Band Polarizations in Randomly Oriented Systems with Spin <i>S</i> ≥ <sup>1</sup>/<sub>2</sub>. Applications to <i>S</i> = <sup>1</sup>/<sub>2</sub> and <i>S</i> = <sup>5</sup>/<sub>2</sub>. Inorganic Chemistry, 38(8), pp. 1847-1865, DOI: 10.1021/ic981264d.
Article169 days agoDescription of the Ground‐State Covalencies of the Bis(dithiolato) Transition‐Metal Complexes from X‐ray Absorption Spectroscopy and Time‐Dependent Density‐Functional Calculations
Kallol Ray, Serena DeBeer, Edward I. Solomon, Karl Wieghardt, Frank Neese (2007). Description of the Ground‐State Covalencies of the Bis(dithiolato) Transition‐Metal Complexes from X‐ray Absorption Spectroscopy and Time‐Dependent Density‐Functional Calculations. Chemistry - A European Journal, 13(10), pp. 2783-2797, DOI: 10.1002/chem.200601425.
Article169 days agoDetailed Spectroscopic and Theoretical Studies on [Fe(EDTA)(O<sub>2</sub>)]<sup>3</sup><sup>-</sup>: Electronic Structure of the Side-on Ferric−Peroxide Bond and Its Relevance to Reactivity
Frank Neese, Edward I. Solomon (1998). Detailed Spectroscopic and Theoretical Studies on [Fe(EDTA)(O<sub>2</sub>)]<sup>3</sup><sup>-</sup>: Electronic Structure of the Side-on Ferric−Peroxide Bond and Its Relevance to Reactivity. Journal of the American Chemical Society, 120(49), pp. 12829-12848, DOI: 10.1021/ja981561h.
Article169 days ago