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Dealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective: Reaction Pathways, Bonding, Spectroscopy, And Magnetic Properties
Frank Neese, William Ames, Gemma J. Christian, Mario Kampa, Dimitrios G. Liakos, Dimitrios A. Pantazis, Michael Roemelt, Panida Surawatanawong, Y.E. Shengfa (2010). Dealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective: Reaction Pathways, Bonding, Spectroscopy, And Magnetic PropertiesDealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective: Reaction Pathways, Bonding, Spectroscopy, And Magnetic Properties. Advances in inorganic chemistry, pp. 301-349, DOI: 10.1016/s0898-8838(10)62008-9,
Chapter in a book169 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.
Article169 days agoA theoretical study of zero-field splitting in Fe(IV)S6 (S=1) and Fe(III)S6 (S=1/2) core complexes, [FeIV(Et2dtc)3−n(mnt)n](n−1)− and [FeIII(Et2dtc)3−n(mnt)n]n− (n=0, 1, 2, 3): The origin of the magnetic anisotropy
Mihail Atanasov, Panida Surawatanawong, Karl Wieghardt, Frank Neese (2012). A theoretical study of zero-field splitting in Fe(IV)S6 (S=1) and Fe(III)S6 (S=1/2) core complexes, [FeIV(Et2dtc)3−n(mnt)n](n−1)− and [FeIII(Et2dtc)3−n(mnt)n]n− (n=0, 1, 2, 3): The origin of the magnetic anisotropy. Coordination Chemistry Reviews, 257(1), pp. 27-41, DOI: 10.1016/j.ccr.2012.05.017.
Article169 days ago