Publications of Mihail Atanasov
All genres
Journal Article (45)
2022
Journal Article
Atanasov, M.; ; ; ; Neese, F. First-Principles Study of Optical Absorption Energies, Ligand Field and Spin-Hamiltonian Parameters of Cr3+ Ions in Emeralds. Inorganic Chemistry 2022, 61, 178–192.
2021
Journal Article
Atanasov, M.; ; ; ; ; Neese, F.; Effect of Spin–Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide Complexes. Inorganic Chemistry 2021, 60, 18553–18560.
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Journal Article
Atanasov, M.; ; ; ; ; Rational Design of a Confacial Pentaoctahedron: Anisotropic Exchange in a Linear ZnIIFeIIIFeIIIFeIIIZnII Complex. Chemistry – A European Journal 2021, 27, 15240–15251.
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Journal Article
Atanasov, M.; ; Neese, F.; ; ; ; ; ; Coexistence of Two Different Distorted Octahedral [MnF6]3− Sites in K3[MnF6]: Manifestation in Spectroscopy and Magnetism. Chemistry – A European Journal 2021, 27, 9801–9813.
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Journal Article
Cahier, B.; Atanasov, M.; Neese, F.; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Robust Magnetic Anisotropy of a Monolayer of Hexacoordinate Fe(II) Complexes Assembled on Cu(111). Inorganic Chemistry Frontiers 2021, 8, 2395–2404.
; 2020
Journal Article
Atanasov, M.; ; ; Neese, F.; ; 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 2020, 142, 19161–19169.
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Journal Article
Schapiro, I.; ; ; Atanasov, M.; Neese, F.; ; Spin-Chemical Effects on Intramolecular Photoinduced Charge Transfer Reactions in Bisphenanthroline Copper(I)-Viologen Dyad Assemblies. Chemical Science 2020, 11, 5511–5525.
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Journal Article
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 2020, 124, 1025–1037.
Journal Article
Jung, J.; ; ; ; Bill, E.; Bistoni, G.; ; Atanasov, M.; ; Neese, F. Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society 2020, 142, 1864–1870.
2019
Journal Article
Neese, F.; Atanasov, M.; ; Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes. Inorganic Chemistry 2019, 58, 3211–3218.
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Atanasov, M.; ; Neese, F.; Probing Magnetic Excitations in CoII Single-Molecule Magnets by Inelastic Neutron Scattering. European Journal of Inorganic Chemistry 2019, 2019, 1119–1127.
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Journal Article
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 2019, 141, 2814–2824.
2018
Journal Article
Atanasov, M.; ; ; ; ; ; ; Neese, F.; A Linear Cobalt(II) Complex with Maximal Orbital Angular Momentum from a non-Aufbau Ground State. Science 2018, 362.
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Journal Article
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 2018, 1148.
Journal Article
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 2018, 14, 4662–4677.
Journal Article
Atanasov, M.; ; Neese, F.; Spin–Phonon Couplings in Transition Metal Complexes with Slow Magnetic Relaxation. Nature Communications 2018, 9.
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Atanasov, M.; Neese, F.; ; The [U2F12]2− Anion of Sr[U2F12]. Angewandte Chemie International Edition 2018, 57, 2914–2918.
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Journal Article
Singh, S. K.; ; ; Atanasov, M.; ; ; ; ; Neese, F.; ; ; [OsF6]x−: Molecular Models for Spin‐Orbit Entangled Phenomena. Chemistry – A European Journal 2017, 23, 11244–11248.
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Journal Article
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 2017, 56, 8802–8816.
Journal Article
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 2017, 344, 2–25.