Aarhus University Seal / Aarhus Universitets segl

Jacob Overgaard

  1. 2021
  2. Published

    Quantifying magnetic anisotropy using X-ray and neutron diffraction. / Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob.

    In: IUCrJ, Vol. 8, No. 5, 09.2021, p. 833-841.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    Exploring the Solubility of the Carbamazepine-Saccharin Cocrystal : A Charge Density Study. / Du, Jonathan J.; Stanton, Stephen A.; Fakih, Slaiman; Hawkins, Bryson A.; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.

    In: Crystal Growth and Design, Vol. 21, No. 8, 08.2021, p. 4259-4275.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  4. Published

    The Quest for Optimal 3 d Orbital Splitting in Tetrahedral Cobalt Single-Molecule Magnets Featuring Colossal Anisotropy and Hysteresis. / Legendre, Christina M.; Damgaard-Møller, Emil; Overgaard, Jacob; Stalke, Dietmar.

    In: European Journal of Inorganic Chemistry, Vol. 2021, No. 30, 08.2021, p. 3108-3114.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  5. Published

    Structure-property correlation in stabilizing axial magnetic anisotropy in octahedral Co(II) complexes. / Tripathi, Shalini; Vaidya, Shefali; Ahmed, Naushad; Klahn, Emil Andreasen; Cao, Huibo; Spillecke, Lena; Koo, Changhyun; Spachmann, Sven; Klingeler, Rüdiger; Rajaraman, Gopalan; Overgaard, Jacob; Shanmugam, Maheswaran.

    In: Cell Reports, Vol. 2, No. 4, 100404, 04.2021.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  6. Published

    Diastereoselective Synthesis of Functionalized 5-Amino-3,4-Dihydro-2H-Pyrrole-2-Carboxylic Acid Esters : One-Pot Approach Using Commercially Available Compounds and Benign Solvents. / Meninno, Sara; Carratù, Mario; Overgaard, Jacob; Lattanzi, Alessandra.

    In: Chemistry - A European Journal, Vol. 27, No. 14, 03.2021, p. 4573-4577.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  7. In preparation

    Magnetic anisotropies of Ho(III) and Dy(III) single-molecule magnets experimentally determined via polarized neutron diffraction. / Klahn, Emil Andreasen; Thiel, Andreas Munch; Degn, Rasmus Bruun; Kibalin, Iurii; Gukasov, Arsen; Wilson, Claire; Canaj, Angelos B.; Murrie, Mark; Overgaard, Jacob.

    In: Dalton Transactions (Print Edition), 2021.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  8. 2020
  9. Published

    Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density. / Damgaard-Møller, Emil; Krause, Lennard; Tolborg, Kasper; Macetti, Giovanni; Genoni, Alessandro; Overgaard, Jacob.

    In: Angewandte Chemie International Edition, Vol. 59, No. 47, 11.2020, p. 21203-21209.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  10. Published

    Influence of anion induced geometry change in Zn(II) on the magnetization relaxation dynamics of Dy(III) in Zn–Dy–Zn complexes. / Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran.

    In: Dalton Transactions (Print Edition), Vol. 49, No. 30, 08.2020, p. 10580-10593.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  11. Published

    Chemical bonding in colossal thermopower FeSb2. / Grønbech, Thomas Bjørn Egede; Tolborg, Kasper; Svendsen, Helle; Overgaard, Jacob; Chen, Yu-Sheng; Iversen, Bo Brummerstedt.

    In: Chemistry - A European Journal, Vol. 26, No. 39, 07.2020, p. 8651-8662.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  12. Published

    Single-Crystal High-Pressure X-ray Diffraction Study of Host Structure Compression in Clathrates of Dianin's Compound. / Eikeland, Espen Zink; Borup, Mette; Thomsen, Maja Krüger; Roelsgaard, Martin; Overgaard, Jacob; Spackman, Mark A.; Iversen, Bo Brummerstedt.

    In: Crystal Growth & Design, Vol. 20, No. 6, 03.06.2020, p. 4092-4099.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  13. Published

    Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector. / Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob.

    In: Journal of Applied Crystallography, Vol. 53, No. 3, 06.2020, p. 635-649.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  14. Published

    Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets. / Gao, Chen; Genoni, Alessandro; Gao, Song; Jiang, Shangda; Soncini, Alessandro; Overgaard, Jacob.

    In: Nature Chemistry, Vol. 12, No. 2, 02.2020, p. 213-219.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  15. Published

    High-Pressure Crystallographic and Magnetic Studies of Pseudo-D5h Symmetric Dy(III) and Ho(III) Single-Molecule Magnets. / Norre, Marie S; Gao, Chen; Dey, Sourav; Gupta, Sandeep K; Borah, Aditya; Murugavel, Ramaswamy; Rajaraman, Gopalan; Overgaard, Jacob.

    In: Inorganic Chemistry, Vol. 59, No. 1, 06.01.2020, p. 717-729.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  16. Published

    Experimental Charge Densities from Multipole Modeling : Moving into the Twenty-First Century. / Damgaard-Møller, Emil; Krause, Lennard; Overgaard, Jacob.

    Structure and Bonding. Berlin : Springer, 2020. p. 145-182 (Structure and Bonding).

    Research output: Contribution to book/anthology/report/proceedingBook chapterResearchpeer-review

  17. Published

    High-Pressure Crystallography as a Guide in the Design of Single-Molecule Magnets. / Thiel, Andreas Munch; Damgaard-Møller, Emil; Overgaard, Jacob.

    In: Inorganic Chemistry, Vol. 59, No. 3, 2020, p. 1682-1691.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  18. Published

    Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound : A Charge Density and Correlated Ab Initio Electronic Structure Study. / Damgaard-Møller, Emil; Krause, Lennard; Lassen, Helene; Malaspina, Lorraine A; Grabowsky, Simon; Bamberger, Heiko; McGuire, Jake; Miras, Haralampos N; Sproules, Stephen; Overgaard, Jacob.

    In: Inorganic Chemistry, Vol. 59, No. 18, 2020, p. 13190-13200.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  19. Published

    Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. / Triki, H.; Nagy, B.; Overgaard, J.; Jensen, Frank; Kamoun, S.

    In: Structural Chemistry, Vol. 31, No. 1, 2020, p. 103-114.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  20. 2019
  21. Published

    Insights into the Origin of Magnetic Anisotropy in Linear Iron Complexes from the Experimental Electron Density. / Thomsen, Maja Krüger; Nyvang, Andreas; Overgaard, Jacob; Walsh, James P. S. ; Bunting, Philip C.; Long, Jeffrey R. ; Neese, Frank; Atanasov, Michael; Genoni, Alessandro.

    2019. Poster session presented at ECM 32 - 32nd European Crystallographic Meeting, Vienna, Austria.

    Research output: Contribution to conferencePosterResearch

  22. Published

    Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH 4 SCN. / Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens Erik; Kato, Kenichi; Brummerstedt Iversen, Bo.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 75, 08.2019, p. 621-633.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  23. Published

    Direct α-Imination of N-Acyl Pyrazoles with Nitrosoarenes. / Volpe, Chiara; Meninno, Sara; Mirra, Giulia; Overgaard, Jacob; Capobianco, Amedeo; Lattanzi, Alessandra.

    In: Organic Letters, Vol. 21, No. 13, 07.2019, p. 5305-5309.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  24. Published

    Low‐Barrier Hydrogen Bonds in Negative Thermal Expansion Material H3[Co(CN)6]. / Tolborg, Kasper; Jørgensen, Mads Ry Vogel; Sist, Mattia; Mamakhel, Mohammad Aref Hasen; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Chemistry: A European Journal, Vol. 25, No. 27, 05.2019, p. 6814-6822.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  25. Published

    Experimental X-ray Electron Density Study of Atomic Charges, Oxidation States, and Inverted Ligand Field in Cu(CF3)4 -. / Gao, Chen; Macetti, Giovanni; Overgaard, Jacob.

    In: Inorganic Chemistry, Vol. 58, No. 3, 04.02.2019, p. 2133-2139.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  26. Published

    Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes. / Thomsen, Maja K.; Nyvang, Andreas; Walsh, James P.S.; Bunting, Philip C.; Long, Jeffrey R.; Neese, Frank; Atanasov, Michael; Genoni, Alessandro; Overgaard, Jacob.

    In: Inorganic Chemistry, Vol. 58, No. 5, 2019, p. 3211-3218.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  27. Published

    Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex : An Experimental Reference Point for Electric-Field-Assisted Catalysis. / Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.

    In: Journal of the American Chemical Society, Vol. 141, No. 9, 2019, p. 3965-3976.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  28. Published

    Molten metal closo-borate solvates. / Møller, Kasper T.; Paskevicius, Mark; Andreasen, Jacob G.; Lee, Junqiao; Chen-Tan, Nigel; Overgaard, Jacob; Payandeh, Seyed Hosein; Silvester, Debbie S.; Buckley, Craig E.; Jensen, Torben R.

    In: Chemical communications (Cambridge, England), Vol. 55, No. 23, 2019, p. 3410-3413.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  29. 2018
  30. Published

    Mapping the magnetic anisotropy at the atomic scale in dysprosium single molecule magnets. / Klahn, Emil A; Gao, Chen; Gillon, Beatrice; Gukasov, Arsen; Fabreges, Xavier; Piltz, Ross O; Jiang, ShangDa; Overgaard, Jacob.

    In: Chemistry: A European Journal, Vol. 24, No. 62, 01.11.2018, p. 16576-16581.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  31. Published

    Experimental mapping of the magnetic anisotropy in dysprosium single ion magnets. / Klahn, Emil Andreasen; Overgaard, Jacob (Member of author collaboration); Gao, Chen (Member of author collaboration); Gillon, Beatrice (Member of author collaboration); Jiang, Shang-Da (Member of author collaboration).

    2018. Poster session presented at International Conference on Molecule-Based Magnets 2018, Rio de Janeiro, Brazil.

    Research output: Contribution to conferencePosterResearch

  32. Published

    Experimental mapping of the magnetic anisotropy in dysprosium single ion magnets. / Klahn, Emil Andreasen; Gao, Chen (Member of author collaboration); Gillon, Beatrice (Member of author collaboration); Jiang, Shang-Da (Member of author collaboration); Overgaard, Jacob (Member of author collaboration).

    2018. Poster session presented at HERCULES, Grenoble, France.

    Research output: Contribution to conferencePosterResearch

  33. Published

    Exploring the Binding of Barbital to a Synthetic Macrocyclic Receptor; a Charge Density Study. / Du, Jonathan J.; Hanrahan, Jane Rouse; Solomon, V. Raja; Williams, Peter A; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A; Hibbs, David E.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 122, No. 11, 26.02.2018, p. 3031-3044.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  34. Published

    X-ray electron density investigation of chemical bonding in van der Waals materials. / Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

    In: Nature Materials, Vol. 17, No. 3, 26.02.2018, p. 249-252.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  35. Published

    Probing Cyclic π-Electron Delocalization in an Imidazol-2-ylidene and a Corresponding Imidazolium Salt. / Thomsen, Maja K; Gatti, Carlo; Overgaard, Jacob.

    In: Chemistry: A European Journal, Vol. 24, No. 19, 24.01.2018, p. 4973-4981.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  36. Published

    Monoclinic paracetamol vs. Paracetamol-4,4 -bipyridine co-crystal; what is the difference? a charge density study. / Du, Jonathan J.; Lai, Felcia; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Hibbs, David E.; Overgaard, Jacob.

    In: Crystals, Vol. 8, No. 1, 46, 18.01.2018, p. 1-16.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  37. Published

    Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. / Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A.K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans Beat; Grabowsky, Simon.

    In: IUCrJ, Vol. 5, No. 1, 01.01.2018, p. 32-44.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  38. Published

    A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state. / Bunting, Philip C.; Atanasov, Mihail; Damgaard-Møller, Emil; Perfetti, Mauro; Crassee, Iris; Orlita, Milan; Overgaard, Jacob; van Slageren, Joris; Neese, Frank; Long, Jeffrey R. .

    In: Science, Vol. 362, No. 6421, 2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  39. Published

    Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffraction. / Craven, Matthew; Nygaard, Mathilde H; Zadrozny, Joseph M; Long, Jeffrey R; Overgaard, Jacob.

    In: Inorganic Chemistry, Vol. 57, No. 12, 2018, p. 6913-6920.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  40. Published

    Organocatalyzed Decarboxylative Trichloromethylation of Morita-Baylis-Hillman Adducts in Batch and Continuous Flow. / Enevoldsen, Martin V.; Overgaard, Jacob; Pedersen, Maja Staffeldt; Lindhardt, Anders Thyboe.

    In: Chemistry: A European Journal, Vol. 24, No. 5, 2018, p. 1204-1208.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  41. Published

    Using Electron Density to Predict Synthon Formation in a 4‑Hydroxybenzoic Acid : 4,4′-Bipyridine Cocrystal. / Du, Jonathan J.; Stanton, Stephen A.; Williams, Peter A.; Ong, Jennifer A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.

    In: Crystal Growth & Design, Vol. 18, No. 3, 2018, p. 1786-1798.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  42. 2017
  43. Published

    Efficient Water Reduction with sp3-sp3 Diboron(4) Compounds: Application to Hydrogenations, H-D Exchange Reactions and Carbonyl Reductions. / Flinker, Mathias ; Yin, Hongfei; Juhl, Rene W. ; Eikeland, Espen Zink; Overgaard, Jacob; Nielsen, Dennis Ulsøe; Skrydstrup, Troels.

    In: Angewandte Chemie International Edition, Vol. 56, No. 50, 11.12.2017, p. 15910-15915.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  44. Published

    Experimental Determination of the Valence Electron Density in a Dy-based Single Molecule Magnet. / Gao, Chen; Damgaard-Møller, Emil; Overgaard, Jacob; Jiang, Shang-Da.

    2017. Poster session presented at Danscatt 2017, Odense, Denmark.

    Research output: Contribution to conferencePosterResearchpeer-review

  45. Published

    Spin density measurement of water-bridged Co-dimer using polarized neutrons. / Damgaard-Møller, Emil; Overgaard, Jacob; Chilton, Nick; Walsh, James; Stunault, Anne; Fabelo, Oscar; Hathwar, Venkatesha Rama; Thomsen, Maja.

    2017. Poster session presented at Danscatt 2017, Odense, Denmark.

    Research output: Contribution to conferencePosterResearch

  46. Published

    Site susceptibilities in single ion magnets by single crystal polarized neutron diffraction. / Klahn, Emil Andreasen; Overgaard, Jacob; Gillon, Beatrice; Jiang, Shang Da.

    2017. Poster session presented at Danscatt 2017, Odense, Denmark.

    Research output: Contribution to conferencePosterResearch

  47. Published

    Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes. / Hathwar, Venkatesha Rama; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 73, No. Pt 2, 04.2017, p. 304-312.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  48. Published

    Tunable Cinchona-Based Thioureas-Catalysed Asymmetric Epoxidation to Synthetically Important Glycidic Ester Derivatives. / Meninno, Sara; Zullo, Luca; Overgaard, Jacob; Lattanzi, Alessandra.

    In: Advanced Synthesis & Catalysis, Vol. 359, No. 6, 20.03.2017, p. 913-918.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  49. Published

    Amine Thiourea Catalysed Double Michael Reaction : An Approach for the Asymmetric Synthesis of Spiro[pyrazolone-4,3′-tetrahydrothiophenes]. / Meninno, Sara; Overgaard, Jacob; Lattanzi, Alessandra.

    In: Synthesis, Vol. 49, No. 7, 2017, p. 1509-1518.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  50. Published

    Crystal structure across the β to α phase transition in thermoelectric Cu2xSe. / Eikeland, Espen Zink; Blichfeld, Anders Bank; Borup, Kasper; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo Brummerstedt.

    In: IUCrJ, Vol. 4, 2017, p. 476-485.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  51. Published

    Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones. / Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra.

    In: Organic Letters, Vol. 19, No. 19, 2017, p. 5030-5033.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  52. Published

    Evidence for Single-Electron Pathways in the Reaction between Palladium(II) Dialkyl Complexes and Alkyl Bromides under Thermal and Photoinduced Conditions. / Andersen, Thomas; Kramer, Søren; Overgaard, Jacob; Skrydstrup, Troels.

    In: Organometallics, Vol. 36, No. 11, 2017, p. 2058-2066.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  53. Published

    Intermolecular Interaction Energies in Hydroquinone Clathrates at High Pressure. / Eikeland, Espen Zink; Thomsen, Maja; Overgaard, Jacob; Spackman, Mark A.; Iversen, Bo Brummerstedt.

    In: Crystal Growth & Design, Vol. 17, No. 7, 2017, p. 3834-3846.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  54. Published

    Site susceptibilities in single ion magnets by single crystal polarized neutron diffraction. / Klahn, Emil Andreasen; Gillon, Beatrice; Jiang, Shang-Da; Overgaard, Jacob.

    2017. Poster session presented at Network meeting with IITB, Mumbai, India, India.

    Research output: Contribution to conferencePosterResearch

  55. 2016
  56. Published

    Crystallographic investigation of photo-excited states in molecular crystals. / Roth, Nikolaj; Jørgensen, Mads Ry Vogel; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2016. Poster session presented at 30th European Crystallographic Meeting, Basel, Switzerland.

    Research output: Contribution to conferencePosterResearch

  57. Published

    Experimental Electron Density of Low Barrier Hydrogen Bonds in H3Co(CN)6. / Tolborg, Kasper; Jørgensen, Mads Ry Vogel; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2016. Poster session presented at 7th European Charge Density Meeting, Poland.

    Research output: Contribution to conferencePosterResearch

  58. Published

    Relationships between Electron Density and Magnetic Properties in Linear Iron-Based Single-Molecule Magnets. / Thomsen, Maja; Overgaard, Jacob; Bunting, Phil ; Long, Jeffrey R. ; Walsh, James P. S. .

    2016.

    Research output: Contribution to conferencePosterResearch

  59. Published

    A Concise Route to the Strongylophorines. / Yu, Wanwan; Hjerrild, Per; Overgaard, Jacob; Poulsen, Thomas.

    In: Angewandte Chemie, Vol. 55, No. 29, 2016, p. 8294-8298.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  60. Published

    A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. / Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W; Overgaard, Jacob; Platts, James A.; Hibbs, David E.

    In: Physical Chemistry Chemical Physics, Vol. 18, No. 41, 2016, p. 28802-28818.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  61. Published

    An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents. / Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.

    In: RSC Advances, Vol. 6, No. 85, 2016, p. 81578-81590.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  62. Published

    Anisotropic compressibility of the coordination polymer emim[Mn(btc)]. / Madsen, Solveig R; Moggach, Stephen A; Overgaard, Jacob; Brummerstedt Iversen, Bo.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 72, No. 3, 2016, p. 389-94.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  63. Published

    Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide. / Hathwar, Venkatesha R; Thomsen, Maja K; Mamakhel, Mohammad Aref H; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 120, No. 38, 2016, p. 7510-7518.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  64. Published

    Expanding the usage of the Source Function to experimental electron densities. / Overgaard, Jacob.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. B72, No. 2, 2016, p. 169-170.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperComment/debate/letter to the editorResearchpeer-review

  65. Published

    Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate. / Overgaard, Jacob; Møller, Louise; Borup, Mette; Tricoire, Maxime; Walsh, James P.S.; Diehl, Marcel; Rentschler, Eva.

    In: Dalton Transactions, Vol. 45, No. 32, 2016, p. 12924-12932.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  66. Published

    Structural Collapse of the Hydroquinone–Formic Acid Clathrate : A Pressure-Medium-Dependent Phase Transition. / Eikeland, Espen; Thomsen, Maja; Madsen, Solveig Røgild; Overgaard, Jacob; Spackman, Mark A.; Iversen, Bo Brummerstedt.

    In: Chemistry: A European Journal, Vol. 22, No. 12, 2016, p. 4061-4069.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  67. Published

    X-Ray Diffraction and Mössbauer Spectroscopy Studies of Pressure-Induced Phase Transitions in a Mixed-Valence Trinuclear Iron Complex. / Madsen, Solveig R.; Gunnlaugsson, Haraldur P.; Moggach, Stephen A.; Eikeland, Espen Zink; Wu, Lai Chin; Leupold, Olaf; Overgaard, Jacob; Iversen, Bo B.

    In: Chemistry: A European Journal, Vol. 22, No. 28, 2016, p. 9616-9623.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  68. 2015
  69. Published

    Applications of electron density studies in molecular and solid state science. / Overgaard, Jacob.

    2015. 138 p.

    Research output: Book/anthology/dissertation/reportDoctoral thesisResearch

  70. Published

    Chemical bonding and electron localization in a Ga(I) amide. / Thomsen, Maja; Dange, Deepak; Jones, Cameron; Overgaard, Jacob.

    2015. Poster session presented at Sagamore XVIII, Santa Margherita di Pula (Ca), Italy.

    Research output: Contribution to conferencePosterResearch

  71. Published

    Crystallographic investigation of photo-excited states. / Roth, Nikolaj; Jørgensen, Mads Ry Vogel; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2015. Poster session presented at Danscatt Annual meeting 2015, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  72. Published

    Experimental Electron Density Study of Strong Hydrogen Bonds. / Tolborg, Kasper; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2015. Poster session presented at Danscatt Annual meeting 2015, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  73. Published

    High-pressure single crystal X-ray diffraction study of the linear metal chain compound Co3(dpa)4Br2·CH2Cl2. / Madsen, S. R.; Overgaard, J.; Stalke, D.; Iversen, B. B.

    In: Dalton Transactions (Print Edition), Vol. 44, No. 19, 21.05.2015, p. 9038-9043.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  74. Published

    Chemical bonding in a Ga(l) amide. / Thomsen, Maja Krüger; Dange, Deepak ; Jones, Cameron ; Overgaard, Jacob.

    2015. Poster session presented at iNANO Annual Meeting 2015, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  75. Published

    Chemical Bonding and Electronic Localization in a GaI Amide. / Thomsen, Maja K.; Dange, Deepak; Jones, Cameron; Overgaard, Jacob.

    In: Chemistry: A European Journal, Vol. 21, No. 41, 2015, p. 14460-14470.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  76. Published

    Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? / Qian, Kang; Baldoví, José J.; Jiang, Shang Da; Gaita-Ariño, Alejandro; Zhang, Yi Quan; Overgaard, Jacob; Wang, Bing Wu; Coronado, Eugenio; Gao, Song.

    In: Chemical Science, Vol. 6, No. 8, 2015, p. 4587-4593.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  77. Published

    Expanding the structural versatility of thiostannate(IV) complexes. / Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.

    In: CrystEngComm, Vol. 17, No. 11, 2015, p. 2413-2420.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  78. Published

    High pressure induced charge transfer in 3d-4f bimetallic photomagnetic materials. / Wu, Lai Chin; Nielsen, Morten Bormann; Bremholm, Martin; Madsen, Solveig Røgild; Overgaard, Jacob; Newville, Matt; Chen, Yu Sheng; Iversen, Bo Brummerstedt.

    In: Chemical Communications, Vol. 51, No. 42, 2015, p. 8868-8871.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  79. Published

    Quantitative analysis of intermolecular interactions in orthorhombic rubrene. / Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Mohammad Aref Hasen; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: IUCrJ, Vol. 2, No. 5, 2015, p. 563-574.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  80. 2014
  81. Published

    Non-Nuclear Attractor in a Molecular Compound under External Pressure. / Wu, Lai-Chin; Jones, Cameron; Stasch, Andreas; Platts, James A.; Overgaard, Jacob.

    In: European Journal of Inorganic Chemistry, No. 32, 11.2014, p. 5536-5540.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  82. Published

    (NH4)4Sn2S6·3H 2O : Crystal structure, thermal decomposition, and precursor for textured thin film. / Nørby, Peter; Overgaard, Jacob; Sigaard Christensen, Per ; Richter, Bo; Song, Xin; Dong, MD; Han, Anpan; Skibsted, Jørgen; Iversen, Bo B.; Johnsen, Simon.

    In: Chemistry of Materials, Vol. 26, No. 15, 12.08.2014, p. 4494-4504.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  83. Published

    Effect of Pressure on a Mixed Valence FeIIFeIII2 Complex. / Madsen, Solveig Røgild; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2014. Poster session presented at 23rd Congress and General Assembly of the IUCr, Montreal, Canada.

    Research output: Contribution to conferencePosterResearch

  84. Published

    Novel thiostannate(IV) crystal structures with strong hydrogen bond interactions. / Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Iversen, Bo Brummerstedt; Johnsen, Simon.

    2014. Poster session presented at 23rd Congress and General Assembly of the IUCr, Montreal, Canada.

    Research output: Contribution to conferencePosterResearchpeer-review

  85. Published

    Access to 1,2-dihydroisoquinolines through gold-catalyzed formal [4+2] cycloaddition. / Xin, Zhuo; Kramer, Søren; Overgaard, Jacob; Skrydstrup, Troels.

    In: Chemistry: A European Journal, Vol. 20, No. 26, 23.06.2014, p. 7926-7930.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  86. Published

    The Effect of Pressure on a Molecular Wire Complex. / Madsen, Solveig Røgild; Thomsen, Maja Krüger; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2014. Poster session presented at Inano Annual Meeting 2014, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  87. Published

    A structural study of a three-membered linear metal chain compound at elevated pressure. / Madsen, Solveig Røgild; Thomsen, Maja Krüger; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmer; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Dalton Transactions (Print Edition), Vol. 43, No. 3, 2014, p. 1313-1320.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  88. Published

    Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ. / Jørgensen, Mads Ry Vogel; Hathwar, Venkatesha Rama; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Acta Crystallographica Section A: Foundations and Advances, Vol. 70, No. 6, 2014, p. 679-681.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  89. Published

    Alkali Metal Ion Templated Transition Metal Formate Framework Materials : Synthesis, Crystal Structures, Ion Migration, and Magnetism. / Eikeland, Espen; Lock, Nina; Filso, Mette; Stingaciu, Marian; Shen, Yanbin; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Inorganic Chemistry, Vol. 53, No. 19, 2014, p. 10178-10188.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  90. Published

    Anisotropic thermal expansion in a metal-organic framework. / Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 70, No. 3, 2014, p. 595-601.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  91. Published

    Atomic properties and chemical bonding in the pyrite and marcasite polymorphs of FeS2 : A combined experimental and theoretical electron density study. / Schmøkel, Mette Stokkebro; Bjerg, Lasse; Cenedese, Simone; Jørgensen, Mads Ry Vogel; Chen, Yu-Sheng; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Chemical Science, Vol. 5, No. 4, 2014, p. 1408-1421.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  92. Published

    Chemical Bonding in a Linear Chromium Metal String Complex. / Wu, Lai-Chin; Thomsen, Maja Krüger; Madsen, Solveig Røgild; Schmøkel, Mette Stokkebro; Jørgensen, Mads Ry Vogel; Cheng, Ming-Chuan; Peng, Shie-Ming; Chen, Yu-Sheng; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Inorganic Chemistry, Vol. 53, No. 23, 2014, p. 12489-12498.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  93. Published

    Contemporary X-ray electron-density studies using synchrotron radiation. / Jørgensen, Mads Ry Vogel; Hathwar, Venkatesha Rama; Bindzus, Niels; Wahlberg, Nanna; Chen, Yu-Sheng; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: IUCrJ, Vol. 1, No. 5, 2014, p. 267-280.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  94. Published

    Exploring Host-Guest Interactions in Organic Clathrates : A Single Crystal High Pressure X-Ray Diffraction Study. / Eikeland, Espen; Madsen, Solveig Røgild; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2014. Poster session presented at HERCULES, Grenoble, France.

    Research output: Contribution to conferencePosterResearch

  95. Published

    Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis : Implications for Molecular Inclusion in Supramolecular Entities. / Clausen, Henrik Fanø; Jørgensen, Mads Ry Vogel; Cenedese, Simone; Schmøkel, Mette Stokkebro; Christensen, Mogens; Chen, Yu-Sheng; Koutsantonis, George A.; Overgaard, Jacob; Spackman, Mark; Iversen, Bo Brummerstedt.

    In: Chemistry: A European Journal, Vol. 20, No. 26, 2014, p. 8089-8098.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  96. Published

    Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. / Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E.P.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 70, No. 6, 2014, p. 932-941.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  97. Published

    Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes. / Overgaard, Jacob; Walsh, James P.S.; Hathwar, Venkatesha Rama; Jørgensen, Mads Ry Vogel; Hoffman, Christina; Platts, Jamie A.; Pilz, Ross; Winpenny, Richard E.P.

    In: Inorganic Chemistry, Vol. 53, No. 21, 2014, p. 11531-11539.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  98. 2013
  99. Published

    Combined X-N charge density study of Co2(μ-OH2)(piv)6(py)2. / Overgaard, Jacob.

    2013. Poster session presented at European Conference on Molecular Magnetism, Karlsruhe, Germany.

    Research output: Contribution to conferencePosterResearch

  100. Published

    The Effect of Pressure on Molecular Wire Co3(2,2’-dipyridylamine)4Cl2•CH2Cl2. / Madsen, Solveig Røgild; Thomsen, Maja Krüger; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2013. Poster session presented at ECM: 28th European Crystallography Meeting, Coventry, United Kingdom.

    Research output: Contribution to conferencePosterResearch

  101. Published

    Charge density study of a gallium containing metal organic complex. / Thomsen, Maja Krüger; Overgaard, Jacob.

    2013. Poster session presented at CMC midterm review 2013, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  102. Published

    Charge density study of a gallium containing metal organic complex. / Thomsen, Maja Krüger; Overgaard, Jacob.

    2013. Poster session presented at iNANO 11th Annual Meeting, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  103. Published

    Comparative study of X-ray charge-density data on CoSb3. / Schmøkel, M.S.; Bjerg, L.; Larsen, F.K.; Overgaard, Jacob; Cenedese, S.; Christensen, Mogens; Madsen, G.K.H.; Gatti, C.; Nishibori, E.; Sugimoto, K.; Takata, M.; Iversen, B.B.

    In: Acta Crystallographica Section A: Foundations and Advances, Vol. 69, No. 6, 2013, p. 570-582.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  104. Published

    Electron Localisation in Ga-Heterocyclic Compounds. / Platts, James A.; Thomsen, Maja Krüger; Overgaard, J.

    In: Zeitschrift fuer Anorganische und Allgemeine Chemie, Vol. 639, No. 11, 2013, p. 1979-1984.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  105. Published

    Experimental Charge Density Study of Trichromium Linear Metal String Complex – Cr3(dpa)4Cl2. / Wu, Lai-Chin; Cheng, Ming-Chuan; Thomsen, Maja Krüger; Schmøkel, Mette Stokkebro; Overgaard, Jacob; Peng, Shie-Ming; Chen, Yu-Sheng; Iversen, Bo Brummerstedt.

    2013. Poster session presented at Gordon Research Conferences : Electron Distribution & Chemical Bonding, Les Diablerets, Switzerland.

    Research output: Contribution to conferencePosterResearch

  106. Published

    Experimental Electron Density Studies of Inorganic Materials. / Schmøkel, Mette Stokkebro; Overgaard, J.; Iversen, Bo Brummerstedt.

    In: Zeitschrift fuer Anorganische und Allgemeine Chemie, Vol. 639, No. 11, 2013, p. 1922-1932.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  107. Published

    Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)2(H2O)2. / Jørgensen, Mads Ry Vogel; Cenedese, Simone; Clausen, Henrik Fanø; Overgaard, Jacob; Chen, Yu-Sheng; Gatti, Carlo; Iversen, Bo Brummerstedt.

    In: Inorganic Chemistry, Vol. 52, No. 1, 2013, p. 297-305.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  108. Published

    High Pressure Studies of Organic Clathrates. / Eikeland, Espen; Madsen, Solveig Røgild; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2013. Poster session presented at iNANO Autumn School 2013, Grenå, Denmark.

    Research output: Contribution to conferencePosterResearch

  109. Published

    High Pressure Studies of Organic Clathrates. / Eikeland, Espen; Madsen, Solveig Røgild; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    2013. Poster session presented at ECM: 28th European Crystallography Meeting, Coventry, United Kingdom.

    Research output: Contribution to conferencePosterResearch

Previous 1 2 3 Next