Title: On QM/MM and MO/MO cluster calculations of all-atom anisotropic displacement parameters for molecules in crystal structures Author(s): Dittrich, B.; Pfitzenreuter, S.; Huebschle, C. B. Source: Acta Crystallographica Section a Volume: 68 Pages: 110-116 Published: JAN 2012 Times Cited: 0 DOI: 10.1107/S0108767311037974
added
09-Feb-12
2.
Title: MoleCoolQt - a molecule viewer for charge-density research Author(s): Hubschle, CB; Dittrich, B Source: Journal of Applied Crystallography Volume: 44 Pages: 238-240 Published: FEB 2011 Times Cited: 4 DOI: 10.1107/S0021889810042482
added
15-Apr-11
3.
Title: ShelXle: a Qt graphical user interface for SHELXL Author(s): Huebschle, Christian B.; Sheldrick, George M.; Dittrich, Birger Source: Journal of Applied Crystallography Volume: 44 Pages: 1281-1284 Published: DEC 2011 Times Cited: 0 DOI: 10.1107/S0021889811043202
added
12-Jan-12
4.
Title: Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases Author(s): Bak, JM; Domagala, S; Hubschle, C; et al. Source: Acta Crystallographica Section a Volume: 67 Pages: 141-153 Published: 2011 Times Cited: 1 DOI: 10.1107/S0108767310049731
added
15-Mar-11
5.
Title: How to easily replace the independent atom model - the example of bergenin, a potential anti-HIV agent of traditional Asian medicine Author(s): DITTRICH, B; WEBER, M; KALINOWSKI, R; et al. Source: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE Volume: 65 Pages: 749-756 Published: 2009 Times Cited: 6 DOI: 10.1107/S0108768109046060
added
02-Dec-09
6.
Title: Towards extracting the charge density from normal-resolution data Author(s): DITTRICH, B; HUBSCHLE, CB; HOLSTEIN, JJ; et al. Source: JOURNAL OF APPLIED CRYSTALLOGRAPHY Volume: 42 Pages: 1110-1121 Published: 2009 Times Cited: 5 DOI: 10.1107/S0021889809034621
added
02-Dec-09
7.
Title: Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data Author(s): HUBSCHLE, CB; DITTRICH, B; GRABOWSKY, S; et al. Source: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE Volume: 64 Pages: 363-374 Published: JUN 2008 Times Cited: 10 DOI: 10.1107/S0108768108005776
added
09-Jul-08
8.
Title: On the 2-electron 3-center B-H-B bond: Charge density determination of tetraborane(10) Author(s): FORSTER, D; HUBSCHLE, CB; LUGER, P; et al. Source: INORGANIC CHEMISTRY Volume: 47 Issue: 6 Pages: 1874-1876 Published: MAR 17 2008 Times Cited: 5 DOI: 10.1021/ic701924r
added
03-Jun-08
9.
Title: Automation of invariom and of experimental charge density modelling of organic molecules with the preprocessor program InvariomTool Author(s): HUBSCHLE, CB; LUGER, P; DITTRICH, B Source: JOURNAL OF APPLIED CRYSTALLOGRAPHY Volume: 40 Pages: 623-627 Published: JUN 2007 Times Cited: 26 DOI: 10.1107/S0021889807016524
added
20-Feb-08
10.
Title: Bond orders and atomic properties of the highly deformed halogenated fullerenes C60F18 and C60Cl30 derived from their charge densities Author(s): HUBSCHLE, CB; SCHEINS, S; WEBER, M; et al. Source: CHEMISTRY-A EUROPEAN JOURNAL Volume: 13 Issue: 7 Pages: 1910-1920 Published: 2007 Times Cited: 13
