Journal Article (46)

2013
Journal Article
Atanasov, M.; Surawatanawong, P.; Wieghardt, K.; Neese, F. 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 2013, 257, 27–41.
Journal Article
Atanasov, M.; Zadrozny, J. M.; Long, J. R.; Neese, F. A Theoretical Analysis of Chemical Bonding, Vibronic Coupling, and Magnetic Anisotropy in Linear Iron(II) Complexes with Single-Molecule Magnet Behavior. Chemical Science 2013, 4, 139–156.
Journal Article
Zadrozny, J. M.; Atanasov, M.; Bryan, A. M.; Lin, C.-Y.; Rekken, B. D.; Power, P. P.; Neese, F.; Long, J. R. Slow Magnetization Dynamics in a Series of Two-Coordinate Iron(II) Complexes. Chemical Science 2013, 4, 125–138.
2012
Journal Article
Atanasov, M.; Comba, P.; Helmle, S.; Müller, D.; Neese, F. Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII–Bispidine Complexes. Inorganic Chemistry 2012, 51, 12324–12335.
2011
Journal Article
Atanasov, M.; Ganyushin, D.; Pantazis, D. A.; Sivalingam, K.; Neese, F. Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes. Inorganic Chemistry 2011, 50, 7460–7477.
Journal Article
Atanasov, M.; Delley, B.; Neese, F.; Tregenna-Piggott, P. L.; Sigrist, M. Theoretical Insights into the Magnetostructural Correlations in Mn3-Based Single-Molecule Magnets. Inorganic Chemistry 2011, 50, 2112–2124.

Book Chapter (1)

2012
Book Chapter
Atanasov, M.; Ganyushin, D.; Sivalingam, K.; Neese, F. A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions; Mingos, D. M. P., Day, P., Eds.; Mingos, D. M. P., Day, P., Series Eds.; Structure and Bonding: Molecular Electronic Structures of Transition Metal Complexes II; Springer: Berlin, Heidelberg, 2012; Vol. 143, pp 149–220.
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