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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.
Article304 days agoImproved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides
Daniel Aravena, Frank Neese, Dimitrios A. Pantazis (2016). Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides. Journal of Chemical Theory and Computation, 12(3), pp. 1148-1156, DOI: 10.1021/acs.jctc.5b01048.
Article299 days agoPeriodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory
Daniel Aravena, Mihail Atanasov, Frank Neese (2016). Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory. Inorganic Chemistry, 55(9), pp. 4457-4469, DOI: 10.1021/acs.inorgchem.6b00244.
Article299 days ago