Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives
Harding, Michael E, Metzroth, Thorsten, Gauss, Jürgen, Auer, Alexander A
Published in Journal of chemical theory and computation (01.01.2008)
Published in Journal of chemical theory and computation (01.01.2008)
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Mechanically interlocked calix[4]arene dimers display reversible bond breakage under force
Janshoff, Andreas, Janke, Matthias, Rudzevich, Yuliya, Molokanova, Olena, Metzroth, Thorsten, Mey, Ingo, Diezemann, Gregor, Marszalek, Piotr E, Gauss, Jürgen, Böhmer, Volker
Published in Nature nanotechnology (01.04.2009)
Published in Nature nanotechnology (01.04.2009)
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Helical Packing of Discotic Hexaphenyl Hexa-peri-hexabenzocoronenes: Theory and Experiment
Pisula, Wojciech, Tomović, Željko, Watson, Mark D, Müllen, Klaus, Kussmann, Jörg, Ochsenfeld, Christian, Metzroth, Thorsten, Gauss, Jürgen
Published in The journal of physical chemistry. B (05.07.2007)
Published in The journal of physical chemistry. B (05.07.2007)
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Unravelling the fine structure of stacked bipyridine diamine-derived C 3 -discotics as determined by X-ray diffraction, quantum-chemical calculations, Fast-MAS NMR and CD spectroscopy
Metzroth, Thorsten, Hoffmann, Anke, Martín-Rapún, Rafael, Smulders, Maarten M. J., Pieterse, Koen, Palmans, Anja R. A., Vekemans, Jef A. J. M., Meijer, E. W., Spiess, Hans W., Gauss, Jürgen
Published in Chemical science (Cambridge) (2011)
Published in Chemical science (Cambridge) (2011)
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Low-Pressure Pyrolysis of tBu2SO: Synthesis and IR Spectroscopic Detection of HSOH
Beckers, Helmut, Esser, Simone, Metzroth, Thorsten, Behnke, Markus, Willner, Helge, Gauss, Jürgen, Hahn, Josef
Published in Chemistry : a European journal (11.01.2006)
Published in Chemistry : a European journal (11.01.2006)
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Unravelling the fine structure of stacked bipyridine diamine-derived C3-discotics as determined by X-ray diffraction, quantum-chemical calculations, Fast-MAS NMR and CD spectroscopyElectronic supplementary information (ESI) available: Experimental section, additional X-ray and NMR data. See DOI: 10.1039/c0sc00292e
Metzroth, Thorsten, Hoffmann, Anke, Martín-Rapún, Rafael, Smulders, Maarten M. J, Pieterse, Koen, Palmans, Anja R. A, Vekemans, Jef A. J. M, Meijer, E. W, Spiess, Hans W, Gauss, Jürgen
Year of Publication 06.12.2010
Year of Publication 06.12.2010
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