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The Journal of Physical Chemistry. A|August 3, 2011
Topological analysis of hydrogen bonds and weak interactions in protein helices via transferred experimental charge density parametersDorothee Liebschner, Christian Jelsch, Enrique Espinosa, et al.The Journal of Physical Chemistry. A|July 12, 2019
Polarization of Electron Density Databases of Transferable Multipolar AtomsThéo Leduc, Emmanuel Aubert, Enrique Espinosa, et al.Acta Crystallographica. Section A, Foundations and Advances|May 5, 2018
A method to estimate statistical errors of properties derived from charge-density modellingBertrand Fournier, Benoît Guillot, Claude Lecomte, et al.Journal of Chemical Theory and Computation|January 23, 2016
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms TransferabilityBenjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.The Journal of Physical Chemistry. A|August 31, 2011
Charge density analysis of 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: an experimental and theoretical study of C≡N···C≡N interactionsAgnieszka Paul, Maciej Kubicki, Adam Kubas, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 2, 2017
A theoretical-electron-density databank using a model of real and virtual spherical atomsAyoub Nassour, Slawomir Domagala, Benoit Guillot, et al.Acta Crystallographica. Section A, Foundations of Crystallography|October 19, 2012
A critical analysis of dipole-moment calculations as obtained from experimental and theoretical structure factorsAgnieszka Poulain-Paul, Ayoub Nassour, Christian Jelsch, et al.Heliyon|June 16, 2022
Theoretical search of crystal polymorphs of temozolomideDavid Stephen Arputharaj, Meenashi Rajasekaran, Christian Jelsch, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|March 29, 2014
Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bondAyoub Nassour, Maciej Kubicki, Jonathan Wright, et al.BMC Research Notes|August 7, 2013
Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPaseMikael Elias, Dorothee Liebschner, Jurgen Koepke, et al.Pageof 7