Publikationen von Mihail Atanasov

Zeitschriftenartikel (46)

2022
Zeitschriftenartikel
Atanasov, M.; Spiller, N.; Neese, F.: Magnetic exchange and valence delocalization in a mixed valence [Fe2+Fe3+Te2]+ complex: insights from theory and interpretations of magnetic and spectroscopic data. Physical Chemistry Chemical Physics 24 (35), S. 20760 - 20775 (2022)
Zeitschriftenartikel
Atanasov, M.; Andreici Eftimie, E.-L.; Avram, N. M.; Brik, M. G.; Neese, F.: First-Principles Study of Optical Absorption Energies, Ligand Field and Spin-Hamiltonian Parameters of Cr3+ Ions in Emeralds. Inorganic Chemistry 61 (1), S. 178 - 192 (2022)
2021
Zeitschriftenartikel
Chakarawet, K.; Atanasov, M.; Ellis, J. E.; Lukens Jr., W. W.; Young Jr., V. G.; Chatterjee, R.; Neese, F.; Long, J. R.: Effect of Spin–Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide Complexes. Inorganic Chemistry 60 (23), S. 18553 - 18560 (2021)
Zeitschriftenartikel
Walleck, S.; Atanasov, M.; Schnack, J.; Bill, E.; Stammler, A.; Bögge, H.; Glaser, T.: Rational Design of a Confacial Pentaoctahedron: Anisotropic Exchange in a Linear ZnIIFeIIIFeIIIFeIIIZnII Complex. Chemistry – A European Journal 27 (61), S. 15240 - 15251 (2021)
Zeitschriftenartikel
Stoll, C.; Atanasov, M.; Bandemehr, J.; Neese, F.; Pietzonka, C.; Kraus, F.; Karttunen, A. J.; Seibald, M.; Heymann, G.; Huppertz, H.: Coexistence of Two Different Distorted Octahedral [MnF6]3− Sites in K3[MnF6]: Manifestation in Spectroscopy and Magnetism. Chemistry – A European Journal 27 (38), S. 9801 - 9813 (2021)
Zeitschriftenartikel
Kelai, M.; Cahier, B.; Atanasov, M.; Neese, F.; Tong, Y.; Zhang, L.; Bellec, A.; Iasco, O.; Rivière, E.; Guillot, R. et al.; Chacon, C.; Girard, Y.; Lagoute, J.; Rousset, S.; Repain, V.; Otero, E.; Arrio, M.-A.; Sainctavit, P.; Barra, A.-L.; Boillot, M.-L.; Mallah, T.: Robust magnetic anisotropy of a monolayer of hexacoordinate Fe(II) complexes assembled on Cu(111). Inorganic Chemistry Frontiers 8 (9), S. 2395 - 2404 (2021)
2020
Zeitschriftenartikel
Chakarawet, K.; Atanasov, M.; Marbey, J.; Bunting, P. C.; Neese, F.; Hill, S.; Long, J. R.: Strong Electronic and Magnetic Coupling in M4 (M = Ni, Cu) Clusters via Direct Orbital Interactions between Low-Coordinate Metal Centers. Journal of the American Chemical Society 142 (45), S. 19161 - 19169 (2020)
Zeitschriftenartikel
Lazorski, M. S.; Schapiro, I.; Gaddie, R. S.; Lehnig, A. P.; Atanasov, M.; Neese, F.; Steiner, U. E.; Elliott, C. M.: Spin-chemical effects on intramolecular photoinduced charge transfer reactions in bisphenanthroline copper(I)-viologen dyad assemblies. Chemical Science 11 (21), S. 5511 - 5525 (2020)
Zeitschriftenartikel
Lang, L.; Atanasov, M.; Neese, F.: Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory. The Journal of Physical Chemistry A 124 (5), S. 1025 - 1037 (2020)
Zeitschriftenartikel
Jung, J.; Löffler, S. T.; Langmann, J.; Heinemann, F. W.; Bill, E.; Bistoni, G.; Scherer, W.; Atanasov, M.; Meyer, K.; Neese, F.: Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society 142 (4), S. 1864 - 1870 (2020)
2019
Zeitschriftenartikel
Thomsen, M. K.; Nyvang, A.; Walsh, J. P. S.; Bunting , P. C.; Long, J. R.; Neese, F.; Atanasov, M.; Genoni, A.; Overgaard, J.: Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes. Inorganic Chemistry 58 (5), S. 3211 - 3218 (2019)
Zeitschriftenartikel
Stavretis, S. E.; Cheng, Y.; Daemen, L. L.; Brown, C. M.; Moseley, D. H.; Bill, E.; Atanasov, M.; Ramirez-Cuesta, A. J.; Neese, F.; Xue, Z.-L.: Probing Magnetic Excitations in CoII Single-Molecule Magnets by Inelastic Neutron Scattering. European Journal of Inorganic Chemistry 2019 (8), S. 1119 - 1127 (2019)
Zeitschriftenartikel
Neese, F.; Atanasov, M.; Bistoni, G.; Maganas, D.; Ye, S.: Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers. Journal of the American Chemical Society 141 (7), S. 2814 - 2824 (2019)
2018
Zeitschriftenartikel
Bunting, P. C.; Atanasov, M.; Damgaard-Møller, E.; Perfetti, M.; Crassee, I.; Orlita, M.; Overgaard, J.; van Slageren, J.; Neese, F.; Long, J. R.: A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state. Science 362 (6421), eaat7319 (2018)
Zeitschriftenartikel
Atanasov, M.; Neese, F.: Computational Studies on Vibronic Coupling in Single Molecule Magnets: Impact on the Mechanism of Magnetic Relaxation. Journal of Physics: Conference Series 1148, 012006 (2018)
Zeitschriftenartikel
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)
Zeitschriftenartikel
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)
Zeitschriftenartikel
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)
2017
Zeitschriftenartikel
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)
Zeitschriftenartikel
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)
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