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The last 5 uploaded publications
Fully Automated Quantum‐Chemistry‐Based Computation of Spin–Spin‐Coupled Nuclear Magnetic Resonance Spectra
Stefan Grimme, Christoph Bannwarth, Sebastian Dohm, Andreas Hansen, Jana Pisarek, Philipp Pracht, Jakob Seibert, Frank Neese (2017). Fully Automated Quantum‐Chemistry‐Based Computation of Spin–Spin‐Coupled Nuclear Magnetic Resonance Spectra. Angewandte Chemie International Edition, 56(46), pp. 14763-14769, DOI: 10.1002/anie.201708266.
Article299 days agoEffect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes
Wolfram Ratzke, Lisa Schmitt, Hideto Matsuoka, Christoph Bannwarth, Marius Retegan, Sebastian Bange, Philippe Klemm, Frank Neese, Stefan Grimme, Olav Schiemann, John M. Lupton, Sigurd Höger (2016). Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes. The Journal of Physical Chemistry Letters, 7(22), pp. 4802-4808, DOI: 10.1021/acs.jpclett.6b01907.
Article299 days agoVollautomatisierte quantenchemische Berechnung von Spin‐Spin‐ gekoppelten magnetischen Kernspinresonanzspektren
Stefan Grimme, Christoph Bannwarth, Sebastian Dohm, Andreas Hansen, Jana Pisarek, Philipp Pracht, Jakob Seibert, Frank Neese (2017). Vollautomatisierte quantenchemische Berechnung von Spin‐Spin‐ gekoppelten magnetischen Kernspinresonanzspektren. Angewandte Chemie, 129(46), pp. 14958-14964, DOI: 10.1002/ange.201708266.
Article299 days agoCCDC 1451726: Experimental Crystal Structure Determination
Niklas Struch, Christoph Bannwarth, Tanya K. Ronson, Y. Lorenz, Bernd Mienert, Norbert Wagner, Marianne Engeser, Eckhard Bill, Rakesh Puttreddy, Kari Rissanen, Johannes Beck, Stefan Grimme, Jonathan R. Nitschke, Arne LützenCCDC 1451726: Experimental Crystal Structure Determination. , DOI: https://doi.org/10.5517/ccdc.csd.cc1kqmws.
Dataset61 days agoEin achtkerniger metallosupramolekularer Würfel mit Spin‐Crossover‐Eigenschaften
Niklas Struch, Christoph Bannwarth, Tanya K. Ronson, Y. Lorenz, Bernd Mienert, Norbert Wagner, Marianne Engeser, Eckhard Bill, Rakesh Puttreddy, Kari Rissanen, Johannes Beck, Stefan Grimme, Jonathan R. Nitschke, Arne Lützen (2017). Ein achtkerniger metallosupramolekularer Würfel mit Spin‐Crossover‐Eigenschaften. , 129(18), DOI: https://doi.org/10.1002/ange.201700832.
Article61 days ago