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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 24, 2017
Validation of X-ray Wavefunction RefinementMagdalena Woińska, Dylan Jayatilaka, Birger Dittrich, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 21, 2023
Dynamic Covalent Bonds in the Ebselen Class of Antioxidants Probed by X-ray Quantum CrystallographyAshi Singh, Kiran Avinash, Lorraine A Malaspina, et al.Iucrj|September 17, 2020
On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density modelW Fabiola Sanjuan-Szklarz, Magdalena Woińska, Sławomir Domagała, et al.The Journal of Chemical Physics|April 1, 2023
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentialsEmanuel Hupf, Florian Kleemiss, Tobias Borrmann, et al.The Journal of Physical Chemistry. A|July 26, 2011
Reactivity differences between α,β-unsaturated carbonyls and hydrazones investigated by experimental and theoretical electron density and electron localizability analysesSimon Grabowsky, Manuela Weber, Dylan Jayatilaka, et al.Acta Crystallographica. Section A, Foundations and Advances|September 2, 2014
Hirshfeld atom refinement for modelling strong hydrogen bondsMagdalena Woińska, Dylan Jayatilaka, Mark A Spackman, et al.The Journal of Physical Chemistry Letters|February 27, 2026
Periodic Hirshfeld Atom RefinementKanghyun Chu, Dylan Jayatilaka, Lorraine A Malaspina, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 13, 2018
Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si-O Bond Character and Basicity of SiloxanesMalte Fugel, Maxie F Hesse, Rumpa Pal, et al.Acta Crystallographica. Section A, Foundations of Crystallography|April 19, 2008
X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculationsDylan Jayatilaka, Birger DittrichActa Crystallographica. Section A, Foundations of Crystallography|February 18, 2004
Electron localization functions obtained from X-ray constrained Hartree-Fock wavefunctions for molecular crystals of ammonia, urea and alloxanDylan Jayatilaka, Daniel GrimwoodPageof 13