Publications

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 2018, 362, eaat7319.

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, 012006.

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.

Moseley, D. H.; Stavretis, S. E.; Thirunavukkuarasu, K.; Ozerov, M.; Cheng, Y.; Daemen, L. L.; Ludwig, J.; Lu, Z.; Smirnov, D.; Brown, C. M.; 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 2018, 9, 2572.

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 2018, 57, 2914–2918.