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The last 5 uploaded publications
Outer-Sphere Contributions to the Electronic Structure of Type Zero Copper Proteins
Kyle M. Lancaster, María-Eugenia Zaballa, Stephen Sproules, Mahesh Sundararajan, Serena DeBeer, John H. Richards, Alejandro J. Vila, Frank Neese, Harry B. Gray (2012). Outer-Sphere Contributions to the Electronic Structure of Type Zero Copper Proteins. Journal of the American Chemical Society, 134(19), pp. 8241-8253, DOI: 10.1021/ja302190r.
Article378 days agoElectronic Structures and Spectroscopy of the Electron Transfer Series [Fe(NO)L<sub>2</sub>]<sup><i>z</i></sup> (<i>z</i> = 1+, 0, 1–, 2–,3–; L = Dithiolene)
Panida Surawatanawong, Stephen Sproules, Frank Neese, Karl Wieghardt (2011). Electronic Structures and Spectroscopy of the Electron Transfer Series [Fe(NO)L<sub>2</sub>]<sup><i>z</i></sup> (<i>z</i> = 1+, 0, 1–, 2–,3–; L = Dithiolene). Inorganic Chemistry, 50(23), pp. 12064-12074, DOI: 10.1021/ic201565d.
Article378 days agoCCDC 804842: Experimental Crystal Structure Determination
Neil C. Tomson, Mark R. Crimmin, Taras Petrenko, Lauren E. Rosebrugh, Stephen Sproules, W. C. Boyd, R.G. Bergman, Serena DeBeer, Dean Toste, Karl WieghardtCCDC 804842: Experimental Crystal Structure Determination. , DOI: https://doi.org/10.5517/ccw0hn0.
Dataset87 days agoA Step beyond the Feltham–Enemark Notation: Spectroscopic and Correlated<i>ab Initio</i>Computational Support for an Antiferromagnetically Coupled M(II)–(NO)<sup>−</sup>Description of Tp*M(NO) (M = Co, Ni)
Neil C. Tomson, Mark R. Crimmin, Taras Petrenko, Lauren E. Rosebrugh, Stephen Sproules, W. Christopher Boyd, Robert G. Bergman, Serena DeBeer, Dean Toste, Karl Wieghardt (2011). A Step beyond the Feltham–Enemark Notation: Spectroscopic and Correlated<i>ab Initio</i>Computational Support for an Antiferromagnetically Coupled M(II)–(NO)<sup>−</sup>Description of Tp*M(NO) (M = Co, Ni). , 133(46), DOI: https://doi.org/10.1021/ja206042k.
Article87 days ago