Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2
(2018)
Journal Article
Fugel, M., Jayatilaka, D., Hupf, E., Overgaard, J., Hathwar, V. R., Macchi, P., …Grabowsky, S. (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), 32-44. https://doi.org/10.1107/s2052252517015548
Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes... Read More about Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.