Seeing Chemical Reactions: Electron Pairing and Energetics Along Pseudo-Reaction Pathways From High-Resolution X-Ray Diffraction Data

Project Details

Status	Finished
Effective start/end date	1/01/11 → 31/12/13

Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density
Malaspina, L. A., Hoser, A. A., Edwards, A. J., Woińska, M., Turner, M. J., Price, J. R., Sugimoto, K., Nishibori, E., Bürgi, H. B., Jayatilaka, D. & Grabowsky, S., 28 Jul 2020, In : CrystEngComm. 22, 28, p. 4778-4789 12 p.
Research output: Contribution to journal › Article

Open Access
3 Citations (Scopus)
Validation of X-ray Wavefunction Refinement
Woińska, M., Jayatilaka, D., Dittrich, B., Flaig, R., Luger, P., Woźniak, K., Dominiak, P. M. & Grabowsky, S., 6 Dec 2017, In : ChemPhysChem. 18, 23, p. 3334-3351 18 p.
Research output: Contribution to journal › Article
20 Citations (Scopus)
On the temperature dependence of H-Ui_so in the riding hydrogen model
Lübben, J., Volkmann, C., Grabowsky, S., Edwards, A., Morgenroth, W., Fabbiani, F. P. A., Sheldrick, G. M. & Dittrich, B., 2014, In : Acta Crystallographica. Section A: Foundations of Crystallography. A70, p. 309-316 8 p.
Research output: Contribution to journal › Article

Open Access
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31 Citations (Scopus)

204 Downloads (Pure)