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The last 5 uploaded publications
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets
Mihail Atanasov, Daniel Aravena, Elizaveta A. Suturina, Eckhard Bill, Dimitrios Maganas, Frank Neese (2014). First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets. Coordination Chemistry Reviews, 289-290, pp. 177-214, DOI: 10.1016/j.ccr.2014.10.015.
Article174 days agoMagneto-Structural Correlations in a Series of Pseudotetrahedral [Co<sup>II</sup>(XR)<sub>4</sub>]<sup>2–</sup>Single Molecule Magnets: An ab Initio Ligand Field Study
Elizaveta A. Suturina, Dimitrios Maganas, Eckhard Bill, Mihail Atanasov, Frank Neese (2015). Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co<sup>II</sup>(XR)<sub>4</sub>]<sup>2–</sup>Single Molecule Magnets: An ab Initio Ligand Field Study. Inorganic Chemistry, 54(20), pp. 9948-9961, DOI: 10.1021/acs.inorgchem.5b01706.
Article169 days agoMagneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)<sub>4</sub>]<sup>2–</sup> Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations
Elizaveta A. Suturina, Joscha Nehrkorn, Joseph M. Zadrozny, Junjie Liu, Mihail Atanasov, Thomas Weyhermüller, Dimitrios Maganas, Stephen Hill, Alexander Schnegg, Eckhard Bill, Jeffrey R. Long, Frank Neese (2017). Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)<sub>4</sub>]<sup>2–</sup> Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations. Inorganic Chemistry, 56(5), pp. 3102-3118, DOI: 10.1021/acs.inorgchem.7b00097.
Article169 days agoHomoleptic Two‐Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I)
C. Gunnar Werncke, Elizaveta A. Suturina, Philip C. Bunting, Laure Vendier, Jeffrey R. Long, Mihail Atanasov, Frank Neese, Sylviane Sabo‐Etienne, Sébastien Bontemps (2015). Homoleptic Two‐Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I). Chemistry - A European Journal, 22(5), pp. 1668-1674, DOI: 10.1002/chem.201503980.
Article169 days agoSpin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex
Malik H. Al‐Afyouni, Elizaveta A. Suturina, Shubhrodeep Pathak, Mihail Atanasov, Eckhard Bill, Daniel E. DeRosha, William W. Brennessel, Frank Neese, Patrick L. Holland (2015). Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex. Journal of the American Chemical Society, 137(33), pp. 10689-10699, DOI: 10.1021/jacs.5b06078.
Article169 days ago