Publikationen von Mihail Atanasov

Singh, S. K.; Atanasov, M.; Neese, F.: Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes. Journal of Chemical Theory and Computation 14 (9), S. 4662 - 4677 (2018)

Moseley, D. H.; Stavretis, S. E.; Thirunavukkuarasu, K.; Ozerov, M.; Cheng, Y.; Daemen, L. L.; Ludwig, J.; Lu, Z.; Smirnov, D.; Brown, C. M. et al.; Pandey, A.; Ramirez-Cuesta, A. J.; Lamb, A. C.; Atanasov, M.; Bill, E.; Neese, F.; Xue, Z.-L.: Spin–phonon couplings in transition metal complexes with slow magnetic relaxation. Nature Communications 9, 2572 (2018)

Scheibe, B.; Pietzonka, C.; Mustonen, O.; Karppinen, M.; Karttunen, A. J.; Atanasov, M.; Neese, F.; Conrad, M.; Kraus, F.: The [U₂F₁₂]²⁻ Anion of Sr[U₂F₁₂]. Angewandte Chemie International Edition 57 (11), S. 2914 - 2918 (2018)

Pedersen, K. S.; Woodruff, D. N.; Singh, S. K.; Tressaud, A.; Durand, E.; Atanasov, M.; Perlepe, P.; Ollefs, K.; Wilhelm, F.; Mathonière, C. et al.; Neese, F.; Rogalev, A.; Bendix, J.; Clérac, R.: [OsF₆]^x−: Molecular Models for Spin‐Orbit Entangled Phenomena. Chemistry – A European Journal 23 (47), S. 11244 - 11248 (2017)

Jung, J.; Atanasov, M.; Neese, F.: Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes. Inorganic Chemistry 56 (15), S. 8802 - 8816 (2017)

Singh, S. K.; Eng, J.; Atanasov, M.; Neese, F.: Covalency and chemical bonding in transition metal complexes: An ab initio based ligand field perspective. Coordination Chemistry Reviews 344 (8), S. 2 - 25 (2017)

Chakraborty, U.; Demeshko, S.; Meyer, F.; Rebreyend, C.; de Bruin, B.; Atanasov, M.; Neese, F.; Mühldorf, B.; Wolf, R.: Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie International Edition 56 (27), S. 7995 - 7999 (2017)

Schweinfurth, D.; Krzystek, J.; Atanasov, M.; Klein, J.; Hohloch, S.; Telser, J.; Demeshko, S.; Meyer, F.; Neese, F.: Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes. Inorganic Chemistry 56 (9), S. 5253 - 5265 (2017)

Suturina, E. A.; Nehrkorn, J.; Zadrozny, J. M.; Liu, J.; Atanasov, M.; Weyhermüller, T.; Maganas, D.; Hill, S.; Schnegg, A.; Bill, E. et al.; Long, J. R.; Neese, F.: Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)₄]^2– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations. Inorganic Chemistry 56 (5), S. 3102 - 3118 (2017)

Ye, S.; Kupper, C.; Meyer, S.; Andris, E.; Navrátil, R.; Krahe, O.; Mondal, B.; Atanasov, M.; Bill, E.; Roithová, J. et al.; Meyer, F.; Neese, F.: Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene–Oxoiron(IV) Complex. Journal of the American Chemical Society 138 (43), S. 14312 - 14325 (2016)

Aravena, D.; Atanasov, M.; Neese, F.: Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory. Inorganic Chemistry 55 (9), S. 4457 - 4469 (2016)

Rechkemmer, Y.; Breitgoff, F. D.; van der Meer, M.; Atanasov, M.; Hakl, M.; Orlita, M.; Neugebauer, P.; Neese, F.; Sarkar, B.; van Slageren, J.: A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier. Nature Communications 7, 10467 (2016)

Werncke, G.; Suturina, E. A.; Bunting, P. C.; Vendier, L.; Long, J. R.; Atanasov, M.; Neese, F.; Sabo‐Etienne, S.; Bontemps, S.: Homoleptic Two‐Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I). Chemistry – A European Journal 22 (5), S. 1668 - 1674 (2016)

England, J.; Bill, E.; Weyhermüller, T.; Neese, F.; Atanasov, M.; Wieghardt, K.: Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2′:6′,2″-Terpyridine, 2,2′-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study. Inorganic Chemistry 54 (24), S. 12002 - 12018 (2015)

Stavretis, S. E.; Atanasov, M.; Podlesnyak, A. A.; Hunter, S. C.; Neese, F.; Xue, Z.-L.: Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings. Inorganic Chemistry 54 (20), S. 9790 - 9801 (2015)

Suturina, E. A.; Maganas, D.; Bill, E.; Atanasov, M.; Neese, F.: Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co^II(XR)₄]^2– Single Molecule Magnets: An ab Initio Ligand Field Study. Inorganic Chemistry 54 (20), S. 9948 - 9961 (2015)

Al-Afyouni, M. H.; Suturina, E.; Pathak, S.; Atanasov, M.; Bill, E.; DeRosha, D. E.; Brennessel, W. W.; Neese, F.; Holland, P. L.: Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex. Journal of the American Chemical Society 137 (33), S. 10689 - 10699 (2015)

Atanasov, M.; Aravena, D.; Suturina, E.; Bill, E.; Maganas, D.; Neese, F.: 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, S. 177 - 214 (2015)

Schweinfurth, D.; Sommer, M. G.; Atanasov, M.; Demeshko, S.; Hohloch, S.; Meyer, F.; Neese, F.; Sarkar, B.: The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)–Azido Complex. Journal of the American Chemical Society 137 (5), S. 1993 - 2005 (2015)

King, A. E.; Nippe, M.; Atanasov, M.; Chantarojsiri, T.; Wray, C. A.; Bill, E.; Neese, F.; Long, J. R.; Chang, C. J.: A Well-Defined Terminal Vanadium(III) Oxo Complex. Inorganic Chemistry 53 (21), S. 11388 - 11395 (2014)