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Malaspina, Lorraine A.; Hoser, Anna A.; Edwards, Alison J.; Woińska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Bürgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon (2020). Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density. CrystEngComm, 22(28), pp. 4778-4789. Royal Society of Chemistry 10.1039/d0ce00378f
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 (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), pp. 32-44. International Union of Crystallography 10.1107/S2052252517015548
Bürgi, Hans-Beat; Macchi, Piero (2018). Comments on `Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers'. IUCrJ, 5(5), pp. 654-657. International Union of Crystallography 10.1107/S2052252518007406
Grabowsky, Simon; Genoni, Alessandro; Bürgi, Hans-Beat (2017). Quantum crystallography. Chemical Science, 8(6), pp. 4159-4176. The Royal Society of Chemistry 10.1039/c6sc05504d
Capelli, Silvia C.; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan (2014). Hirshfeld atom refinement. IUCrJ, 1(5), pp. 361-379. International Union of Crystallography 10.1107/S2052252514014845
Michels-Clark, T.M.; Lynch, T.M.; Hoffmann, C.M.; Hauser, Jürg; Weber, T.; Harrison, R.; Bürgi, Hans-Beat (2013). Analyzing diffuse scattering with supercomputers. Journal of applied crystallography, 46(6), pp. 1616-1625. Blackwell 10.1107/S0021889813025399
Bonin, Michel; Labat, Gaël; Couderc, Gaëtan; Lüthi, Thérèse A.; Reichenbächer, Katharina; Hulliger, Jürg; Bürgi, Hans-Beat (2012). Novel Host-Guest Structures of 2,4,6-Tris(4-Halophenoxy)-1,3,5-Triazines(XPOT): Inclusion of C60 and Pyridine. Journal of chemical crystallography, 42(6), pp. 645-650. New York, N.Y.: Springer 10.1007/s10870-012-0282-0
Cole, J.M.; Bürgi, Hans-Beat; McIntyre, G.J. (2011). Distinction of disorder, classical and quantum vibrational contributions to atomic mean-square amplitudes in dielectric pentachloronitrobenzene. Physical review. B - condensed matter and materials physics, 83(22), p. 224202. Ridge, N.Y.: American Physical Society 10.1103/PhysRevB.83.224202
Behrnd, Norwid-Rasmus; Labat, Gaël; Paloth, Venugopalan; Hulliger, Jürg; Bürgi, Hans-Beat (2010). Orientational Disorder of (trans)-4-Chloro-4’-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction. Crystal growth & design, 10(1), pp. 52-59. Washington, D.C.: American Chemical Society 10.1021/cg801278j
Behrnd, Norwid-Rasmus; Labat, Gaël; Paloth, Venugopalan; Hulliger, Jürg; Bürgi, Hans-Beat (2010). Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4’-nitrostilbene. CrystEngComm, 12(12), p. 4101. London: Royal Society of Chemistry 10.1039/b926652f
Chernyshov, Dimitry; Klinduhov, Nikolay; Törnroos, Karl; Hostettler, Marc; Vangdal, Brita; Bürgi, Hans-Beat (2007). Coupling between spin conversion and solvent disorder in spin crossover solids. Physical review. B - condensed matter and materials physics, 76(1), p. 14406. Ridge, N.Y.: American Physical Society 10.1103/PhysRevB.76.014406
Aebischer, Annina; Hostettler, Marc; Hauser, Jürg; Krämer, Karl; Weber, Thomas; Güdel, Hans-Ulrich; Bürgi, Hans-Beat (2006). Structural and Spectroscopic Characterization of Active Sites in a Family of Light-Emitting Sodium Lanthanide Tetrafluorides. Angewandte Chemie (International ed.), 45(17), pp. 2802-2806. Weinheim: Wiley-VCH 10.1002/anie.200503966
Bürgi, Hans-Beat; Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter (2005). Stacking disorder: the hexagonal polymorph of tris(bicyclo[2.1.1]hexeno)benzene and related examples. Zeitschrift für Kristallographie - Crystalline Materials, 220(12), pp. 1066-1075. De Gruyter Oldenbourg 10.1524/zkri.2005.220.12.1066
Franz, Patrick; Ambrus, Christina; Hauser, Andreas; Chernyshov, Dmitry; Hostettler, Marc; Hauser, Jürg; Keller, Lukas; Krämer, Karl; Stoeckli-Evans, Helen; Pattison, Philip; Bürgi, Hans-Beat; Decurtins, Silvio (2004). Crystalline, Mixed-Valence Manganese Analogue of Prussian Blue: Magnetic, Spectroscopic, X-ray and Neutron Diffraction Studies. Journal of the American Chemical Society, 126(50), pp. 16472-16477. American Chemical Society 10.1021/ja0465451
Krämer, Karl; Schenker, Ralph; Hauser, Jürg; Weihe, Høgni; Güdel, Hans-Ulrich; Bürgi, Hans-Beat (2001). Crystal Structures of (Et4N)3M2F9 (M = V, Cr, Fe) determined by X-Ray Single-Crystal and Powder Diffraction: A New Structure Type for A3M2X9 Compounds. Zeitschrift für anorganische und allgemeine Chemie, 627(11), pp. 2511-2516. Wiley-VCH 10.1002/1521-3749(200111)627:11<2511::AID-ZAAC2511>3.0.CO;2-J
Stulz, E.; Bürgi, Hans-Beat; Leumann, Christian (2000). Zr(IV)-tetraphenylporphyrinates as nuclease mimicks: structural kinetic and mechanistic studies on phosphate diester transesterifications. Chemistry - a European journal, 6(3), pp. 523-536. Wiley-VCH 10.1002/(SICI)1521-3765(20000204)6:3<523::AID-CHEM523>3.0.CO;2-1
Marfurt, J.; Stulz, E.; Trafelet, H. U.; Zingg, A.; Leumann, Christian; Hazenkamp, M.; Judd, R.; Schenker, S.; Strouse, G.; Ward, T. R.; Förtsch, M.; Hauser, Jürg; Bürgi, Hans-Beat (1996). 7-(2'-deoxy-alpha-D-ribofuranosyl)-hypoxanthine. Acta Crystallographica, Section C: Crystal Structure Communications, 52(3), pp. 713-716. Wiley-Blackwell 10.1107/S0108270195012662
Frei, Gabriela Claudia; Zilian, Arne; Raselli, Andrea; Güdel, Hans-Ulrich; Bürgi, Hans-Beat (1992). Structure and optical spectroscopy of bis(2-phenylpyridine)(2,2'-bipyridine) rhodium hexafluorophosphate and related complexes. Inorganic chemistry, 31(23), pp. 4766-4773. American Chemical Society 10.1021/ic00049a011
Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Hulliger, Jürg; Bürgi, Hans-Beat; Paloth, Venugopalan; Wübbenhorst, Michael (2006). (trans)-4-chloro-4 nitrostilbene a detailed structure analysis of a polar material. Acte Crystallographica Section A, A62(Supplement), s72.
