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Dr. Michael Böhme

theoretical chemist and computer enthusiast
mail@michael-böhme.de   [PGP key]   ·   boehme.mic@gmail.com   [PGP key]

Michael Böhme

Computational Chemistry   ·   Magnetochemistry   ·   Inorganic Chemistry   ·   Programming

Find me on …
ResearchGate  ·  Google Scholar  ·  ORCID  ·  Scopus
GitHub  ·  GitLab  ·  Twitter  · Mastodon

Current Projects
To Be Announced
shapeXT (since 2019)   ·   [Website]
A next generation 3D visualization program for crystal structures and molecules. Coming in 2025, stay tuned. 🖖

Older Projects
Coronavirus-Fälle in Jena
Coronavirus-Fälle in Thüringen (2020–2024)   ·   [Website]  ·  [GitHub]
COVID-19 data scraper and visualization that helps to track and analyse the number of COVID-19 cases in Thuringia, Germany.
Statistische Analyse zur Corona-Warn-App
Diagnosis Key Analysis (2020–2022)   ·   [Website]  ·  [GitHub]
A statistical analysis and visualization of the daily published data of the official German COVID-19 tracing app (Corona-Warn-App).
jenah
jenah (2019)   ·   [GitHub]
A weekend project that shows the current public transport schedule for a given station in Jena. The project was realized with a Raspberry Pi Zero W, a LCD1602 display, a 3D-printed case, and a Python script.
MiB's Challenges
MiB's Challenges (2005–2017)   ·   [Archived Website]
A German website based upon PHP/MySQL with over 2100 users and 150 online riddles, so-called challenges, in nine different categories (math, logic, science, cryptography, programming, etc.).
Visual MB
Visual MB (2002–2010)   ·   [SourceForge]   ·   [GitHub]
Visual MB was a object-oriented programming language for beginners written in Delphi. It came with an editor, window designer, and compiler. The latter created bytecode that was linked and interpreted by a runtime library. A rewrite of the runtime library in low-level C was started in 2006, but never finished.
Nova-X
Nova-X (2002–2003)   ·   [GitHub]
Nova-X was an experimental operating system written in low-level assembler and C code by a group of young people between 2002 and 2003. The aim was to implement basic features of a modern protected mode operating system to learn and understand low-level hardware programming.
 
Peer-Reviewed Publications
  1. Dinuclear Copper(ii) Complex with Intramolecular O–H⋅⋅⋅O Hydrogen Bonding: Magneto‐Structural Correlation for Acylhydrazone‐Based Phenoxido Bridged Copper(ii) Complexes, Michael Böhme, Monalisa Mohanty, Sudhir Lima, Axel Buchholz, Helmar Görls, Rupam Dinda, Winfried Plass, Eur. J. Inorg. Chem. 2024, doi: 10.1002/ejic.202400531.  [Open Access]
  2. THz-EPR-based Magneto-Structural Correlations for Cobalt(ii) Single-Ion Magnets with Bis-Chelate Coordination, Maximilian Pohle, Thomas Lohmiller, Michael Böhme, Michał Rams, Sven Ziegenbalg, Helmar Görls, Alexander Schnegg, Winfried Plass, Chem. Eur. J. 2024, doi: 10.1002/chem.202401545.  [Open Access]
  3. Kink distortion of the pseudo-S4 axis in pseudotetrahedral [N2O2] bis-chelate cobalt(ii) single-ion magnets leads to increased magnetic anisotropy, Sudhir Lima, Maximilian H. Pohle, Michael Böhme, Helmar Görls, Thomas Lohmiller, Alexander Schnegg, Rupam Dinda, Winfried Plass, Dalton Trans. 2023, 52, 9787–9796.  [Closed Access]
  4. Weakening the Interchain Interactions in One Dimensional Cobalt(ii) Coordination Polymers by Preventing Intermolecular Hydrogen Bonding, Michał Rams, Thomas Lohmiller, Michael Böhme, Aleksej Jochim, Magdalena Foltyn, Alexander Schnegg, Winfried Plass, Christian Näther, Inorg. Chem. 2023, 62, 10420–10430.  [Open Access]
  5. A Trinuclear High-Spin Iron(III) Complex with Geometrically Frustrated Spin Ground State featuring Negligible Magnetic Anisotropy and Antisymmetric Exchange, Benjamin Kintzel, Michael Böhme, Daniel Plaul, Helmar Görls, Nicolas Yeche, Felix Seewald, Hans-Henning Klauss, Andrey Zvyagin, Erik Kampert, Thomas Herrmannsdörfer, Gwendolyne Pascua, Christopher Baines, Hubertus Luetkens, Winfried Plass, Inorg. Chem. 2023, 8, 3420–3430.  [Closed Access]
  6. Magnetic Anisotropy and Relaxation of Pseudotetrahedral [N2O2] Bis-Chelate Cobalt(II) Single-Ion Magnets Controlled by Dihedral Twist Through Solvomorphism, Maximilian H. Pohle, Michael Böhme, Thomas Lohmiller, Sven Ziegenbalg, Louis Blechschmidt, Helmar Görls, Alexander Schnegg, Winfried Plass, Chem. Eur. J. 2022, doi: 10.1002/chem.202202966.  [Open Access]   [PDF]
  7. Low-coordinate Fe(II) Amido Half-Sandwich Complexes with Large Internal Magnetic Hyperfine Fields, Katharina Münster, Dirk Baabe, Benjamin Kintzel, Michael Böhme, Winfried Plass, Jan Raeder, Marc D. Walter, Inorg. Chem. 2022, 61, 18883–18898.  [Closed Access]
  8. A Co(NCS)2 chain compound with an alternating 5-fold and 6-fold coordination: Influence of the metal coordination on the magnetic properties, Michael Böhme, Michał Rams, Christoph Krebs, Sebastian Mangelsen, Inke Jess, Winfried Plass, Christian Näther, Inorg. Chem. 2022, 61, 16841–16855.  [Closed Access]
  9. Methoxido-Bridged Lacunary Heterocubane Oxidovanadium(IV) Cluster with Azo Ligands: Synthesis, X-ray Structure, Magnetic Properties, and Antiproliferative Activity, Satabdi Roy, Michael Böhme, Sudhir Lima, Monalisa Mohanty, Atanu Banerjee, Axel Buchholz, Winfried Plass, Sharan Rathnam, Indranil Banerjee, Werner Kaminsky, Rupam Dinda, Eur. J. Inorg. Chem. 2022, doi: 10.1002/ejic.202200109.  [Open Access]   [PDF]
  10. Magnetic investigations of monocrystalline [Co(NCS)2(L)2]n: new insights into single-chain relaxations, Magdalena Ceglarska, Michael Böhme, Tristan Neumann, Winfried Plass, Christian Näther, Michał Rams, Phys. Chem. Chem. Phys. 2021, 23, 10281–10289.  [Closed Access]
  11. Spin–Electric Coupling in a Cobalt(II)-Based Spin Triangle Revealed by Electric Field-Modulated ESR, Benjamin Kintzel, Maria Fittipaldi, Michael Böhme, Alberto Cini, Lorenzo Tesi, Axel Buchholz, Roberta Sessoli, Winfried Plass, Angew. Chem. Int. Ed. 2021, 60, 8832–8838.  [Open Access]   [PDF]   [Deutsche Fassung]   [Press Release]   [Pressemitteilung]
  12. Thermodynamically metastable chain and stable layered Co(NCS)2 coordination polymers: Thermodynamic relations and magnetic properties, Aleksej Jochim, Michał Rams, Michael Böhme, Magdalena Ceglarska, Winfried Plass, Christian Näther, Dalton Trans. 2020, 49, 15310–15322.  [Closed Access]
  13. Octanuclear nickel phosphonate core forming extended and molecular structures, Iaroslav Doroshenko, Michael Böhme, Axel Buchholz, Lucie Simonikova, Winfried Plass, Jiri Pinkas, CrystEngComm 2020, 22, 6900–6910.  [Closed Access]
  14. Pentanuclear Nickel(ii) Complex with two Vertex-Shared Triaminoguanidine Fragments and Symmetric Capping Ligand, Michael Böhme, Adrian E. Ion, Benjamin Kintzel, Axel Buchholz, Helmar Görls, Winfried Plass, Z. anorg. allg. Chem. 2020, 646, 999–1009.  [Open Access]   [PDF]
  15. Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers, Aleksej Jochim, Thomas Lohmiller, Michał Rams, Michael Böhme, Magdalena Ceglarska, Alexander Schnegg, Winfried Plass, Christian Näther, Inorg. Chem. 2020, 59, 8971–8982.  [Closed Access]
  16. Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties, Michael Böhme, Aleksej Jochim, Michał Rams, Thomas Lohmiller, Stefan Suckert, Alexander Schnegg, Winfried Plass, Christian Näther, Inorg. Chem. 2020, 59, 5325–5338.  [Closed Access]
  17. Spin Interactions and Magnetic Anisotropy in a Triangular Nickel(ii) Complex with Triaminoguanidine Ligand Framework, Michael Böhme, Dirk Schuch, Axel Buchholz, Helmar Görls, Winfried Plass, Z. anorg. allg. Chem. 2020, 646, 166–174.  [Open Access]   [PDF]
  18. 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. 2020, 26, 2837–2851.  [Open Access]   [PDF]
  19. 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]   [Lichtgedanken]
  20. 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]
  21. 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]
  22. 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]
  23. 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]
  24. 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]
  25. 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]
  26. 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]
  27. 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]
  28. 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]
  29. 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]
  30. 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]
  31. 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 and References
  1. Wie ein Thüringer die Pandemie im Land sichtbar macht, Thüringer Allgemeine 2021, 19.01.2021.
  2. A picture is worth 1,000 words, Interview, Friedrich Schiller University Jena 2020, 22.04.2020.  [Deutsche Fassung]
  3. Cover Profile – 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. 2020, doi: 10.1002/chem.202000371.
  4. 3d Transition Metal and Lanthanide Containing Molecular Magnets: A Theoretical Approach, Michael Böhme, Dissertation, Friedrich Schiller University Jena 2019, 22.07.2019.
  5. 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
Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties
  
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


 
Skills and Expertise