Dipl.-Chem. Michael Böhme

theoretical chemist and computer enthusiast
mail@michael-böhme.de [Public GPG Key]

Michael Böhme

Computational Chemistry   ·   Magnetochemistry   ·   Inorganic Chemistry   ·   Programming

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Peer-Reviewed Publications
  1. Single-Chain Magnet Based on Cobalt(ii) Thiocyanate as XXZ Spin Chain, Michał Rams, Aleksej Jochim, Michael Böhme, Thomas Lohmiller, Magdalena Ceglarska, Marek M. Rams, Alexander Schnegg, Winfried Plass, Christian Näther, Chem. Eur. J. 2019, doi: 10.1002/chem.201903924.  [Closed Access]
  2. How to link theory and experiment for single-chain magnets beyond the Ising model: magnetic properties modeled from ab initio calculations of molecular fragments, Michael Böhme, Winfried Plass, Chem. Sci. 2019, 40, 9189–9202.  [Open Access]   [PDF]   [Press Release]
  3. Metal Bonded Triarylamines and their Interactions: Synthesis, Structure, and Redox Properties of Paddle-Wheel Copper Complexes, Oluseun Akintola, Michael Böhme, Manfred Rudolph, Axel Buchholz, Helmar Görls, Winfried Plass, ChemistryOpen 2019, 8, 271–284.  [Open Access]   [PDF]
  4. rhOver: Determination of Magnetic Anisotropy and Related Properties for Dysprosium(iii) Single-Ion Magnets by Semi-Empirical Approaches utilizing Hartree–Fock Wave Functions, Michael Böhme, Winfried Plass, J. Comput. Chem. 2018, 39, 2697–2712.  [Closed Access]   [rhOver on GitHub]
  5. Molecular electronic spin qubits from a spin-frustated trinuclear copper complex, Benjamin Kintzel, Michael Böhme, Junjie Liu, Anja Burkhardt, Jakub Mrozek, Axel Buchholz, Arzhang Ardavan, Winfried Plass, Chem. Commun. 2018, 54, 12934–12937.  [Open Access]   [PDF]   [Press Release]   [Video Abstract]
  6. Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N2O2] coordination environment, Michael Böhme, Sven Ziegenbalg, Azar Aliabadi, Alexander Schnegg, Helmar Görls, Winfried Plass, Dalton Trans. 2018, 47, 10861–10873.  [Closed Access]   [Correction]
  7. Anionic Dinuclear Oxidovanadium(iv) Complexes with Azo Functionalized Tridentate Ligands and μ-Ethoxido Bridge Leading to an Unsymmetric Twisted Arrangement: Synthesis, X-ray structure, Magnetic Property and Cytotoxicity, Satabdi Roy, Michael Böhme, Subhashree P. Dash, Monalisa Mohanty, Axel Buchholz, Winfried Plass, Senthilguru Kulanthaivel, Indranil Banerjee, Hans Reuter, Werner Kaminsky, Rupam Dinda, Inorg. Chem. 2018, 57, 5767–5781.  [Closed Access]
  8. Modeling Spin Interactions in a Triangular Cobalt(ii) Complex with Triaminoguanidine Ligand Framework: Synthesis, Structure and Magnetic Properties, Daniel Plaul, Michael Böhme, Serghei Ostrovsky, Zbigniew Tomkowicz, Helmar Görls, Wolfgang Haase, Winfried Plass, Inorg. Chem. 2018, 57, 106–119.  [Closed Access]
  9. Lanthanide(iii) Sandwich and Half-Sandwich Complexes with Bulky Cyclooctatetraenyl Ligands: Synthesis, Structures, and Magnetic Properties, Volker Lorenz, Phil Liebing, Michael Böhme, Axel Buchholz, Winfried Plass, Liane Hilfert, Sabine Busse, Felix Engelhardt, Cristian G. Hrib, Frank T. Edelmann, Eur. J. Inorg. Chem. 2017, 4840–4849.  [Closed Access]
  10. Static and Dynamic Magnetic Properties of the Ferromagnetic Coordination Polymer [Co(NCS)2(py)2]n, Michał Rams, Michael Böhme, Vladislav Kataev, Yulia Krupskaya, Bernd Büchner, Winfried Plass, Tristan Neumann, Inke Jess, Zbigniew Tomkowicz, Christian Näther, Phys. Chem. Chem. Phys. 2017, 19, 24534–24544.  [Closed Access]
  11. Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers, Michał Rams, Zbigniew Tomkowicz, Michael Böhme, Winfried Plass, Stefan Suckert, Julia Werner, Inke Jess, Christian Näther, Phys. Chem. Chem. Phys. 2017, 19, 3232–3243.  [Open Access]   [PDF]
  12. Synthesis, structures, magnetic, and theoretical investigations of layered Co and Ni thiocyanate coordination polymers, Stefan Suckert, Michał Rams, Michael Böhme, Luzia S. Germann, Robert E. Dinnebier, Winfried Plass, Julia Werner, Christian Näther, Dalton Trans. 2016, 45, 18190–18201.  [Open Access]   [PDF]
  13. Synthesis, Theoretical Study and Catalytic Application of Oxidometal (Mo or V) Complexes: Unexpected Coordination Due to Ligand Rearrangement through Metal-Mediated C–C Bond Formation, Sagarika Pasayat, Michael Böhme, Sarita Dhaka, Subhashree P. Dash, Sudarshana Majumder, Mannar R. Maurya, Winfried Plass, Werner Kaminsky, Rupam Dinda, Eur. J. Inorg. Chem. 2016, 10, 1604–1618.  [Closed Access]
  14. Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations, Gholamhossein Mohammadnezhad, Michael Böhme, Daniel Geibig, Anja Burkhardt, Helmar Görls, Winfried Plass, Dalton Trans. 2013, 42, 11812–11823.  [Closed Access]
Other Publications
  1. 3d Transition Metal and Lanthanide Containing Molecular Magnets: A Theoretical Approach, Michael Böhme, Dissertation, Friedrich Schiller University Jena 2019, 22.07.2019.
  2. Cover Profile – Metal Bonded Triarylamines and their Interactions: Synthesis, Structure, and Redox Properties of Paddle-Wheel Copper Complexes, Oluseun Akintola, Michael Böhme, Manfred Rudolph, Axel Buchholz, Helmar Görls, Winfried Plass, ChemistryOpen 2019, 8, 250.
Cover Pages
How to link theory and experiment for single-chain magnets beyond the Ising model: magnetic properties modeled from ab initio calculations of molecular fragments
  
Metal Bonded Triarylamines and their Interactions: Synthesis, Structure, and Redox Properties of Paddle-Wheel Copper Complexes
  
rhOver: Determination of Magnetic Anisotropy and Related Properties for Dysprosium(iii) Single-Ion Magnets by Semi-Empirical Approaches utilizing Hartree–Fock Wave Functions

Molecular electronic spin qubits from a spin-frustated trinuclear copper complex
  
Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N2O2] coordination environment