Author Grabowsky, Simon
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2007 | Journal Article
Electron-density determination of electrophilic building blocks as model compounds for protease inhibitors
Grabowsky, S.; Pfeuffer, T.; Checinska, L.; Weber, M.; Morgenroth, W.; Luger, P. & Schirmeister, T. (2007)
European Journal of Organic Chemistry,(17) pp. 2759-2768. DOI: https://doi.org/10.1002/ejoc.200601074
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2008 | Journal Article
A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds
Grabowsky, S.; Pfeuffer, T.; Morgenroth, W.; Paulmann, C.; Schirmeister, T. & Luger, P. (2008)
Organic & Biomolecular Chemistry, 6(13) pp. 2295-2307. DOI: https://doi.org/10.1039/b802831a
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2008 | Journal Article
Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data
Huebschle, C. B.; Dittrich, B.; Grabowsky, S.; Messerschmidt, M. & Luger, P. (2008)
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 64 pp. 363-374. DOI: https://doi.org/10.1107/S0108768108005776
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2009 | Journal Article
How to easily replace the independent atom model - the example of bergenin, a potential anti-HIV agent of traditional Asian medicine
Dittrich, B.; Weber, M.; Kalinowski, R.; Grabowsky, S.; Huebschle, C. B. & Luger, P. (2009)
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 65 pp. 749-756. DOI: https://doi.org/10.1107/S0108768109046060
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2014 | Journal Article |
On the temperature dependence of H-U-iso in the riding hydrogen model
Luebben, J.; Volkmann, C.; Grabowsky, S.; Edwards, A.; Morgenroth, W.; Fabbiani, F. P. A. & Sheldrick, G. M. et al. (2014)
Acta Crystallographica Section A Foundations and Advances, 70 pp. 309-316. DOI: https://doi.org/10.1107/S2053273314010626
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2014 | Journal Article |
Hirshfeld atom refinement
Capelli, S. C.; Buergi, H.-B.; Dittrich, B.; Grabowsky, S. & Jayatilaka, D. (2014)
IUCrJ, 1 pp. 361-379. DOI: https://doi.org/10.1107/S2052252514014845
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2017 | Journal Article
Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations
Malaspina, L. A.; Edwards, A. J.; Woińska, M.; Jayatilaka, D.; Turner, M. J.; Price, J. R. & Herbst-Irmer, R. et al. (2017)
Crystal Growth & Design, 17(7) pp. 3812-3825. DOI: https://doi.org/10.1021/acs.cgd.7b00390
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2022 | Book Chapter
Chemical concepts of bonding and current research problems, or: Why should we bother to engage in chemical bonding analysis?
Stalke, D. (2022)
In:Grabowsky, Simon (Ed.), Complementary Bonding Analysis pp. 9-40. De Gruyter. DOI: https://doi.org/10.1515/9783110660074-002
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