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Chemistry : a European journal, ISSN 0947-6539, 2018, Volume 24, Issue 43, p. n/a
A tale of two worlds: The painting used for the frontispiece is F. Rasma's “Mehr Licht” from 1991. We are grateful to the artist for his permission to... 
scattering | crystallography | quantum mechanics | Crystallography | Quantum mechanics | Radiation
Journal Article
IUCrJ, ISSN 2052-2525, 09/2018, Volume 5, Issue Pt 5, pp. 647 - 653
In this study, the nature and characteristics of a short Br⋯π interaction observed in an ebselen derivative, 2-(2-bromophenyl)benzo[ ][1,2]selenazol-3(2 )-one,... 
ebselen | π-hole bonding | charge, spin and momentum densities | computational modelling | molecular electrostatic potentials | electron density | σ-hole bonding | molecular crystals | crystal engineering
Journal Article
Acta crystallographica. Section E, Structure reports online, ISSN 1600-5368, 2014, Volume 70, Issue 9, pp. o1061 - o1062
In the title molecule, C H Cl N , the triazacyclohexane ring adopts a chair conformation with both 4-chlorophenyl substituents in axial positions and the... 
crystal structure | triazacyclohexane | C-H⋯π interactions | Cristallography | Chemical Sciences | C—H...π interactions
Journal Article
Acta crystallographica. Section E, Structure reports online, ISSN 1600-5368, 09/2014, Volume 70, Issue Pt 9, p. o1061
In the title mol-ecule, C18H21Cl2N3, the tri-aza-cyclo-hexane ring adopts a chair conformation with both 4-chloro-phenyl substituents in axial positions and... 
Journal Article
Acta crystallographica. Section A, Foundations and advances, ISSN 2053-2733, 08/2014, Volume 70, Issue a1, pp. C1083 - C1083
A new charge and spin density model and the corresponding refinement software were recently developed to combine X-ray and polarised neutron diffraction... 
Journal Article
ISSN 1477-9226, 5/2012, Volume 41, Issue 22, pp. 6598 - 661
... of the experimental electron density within 2 and 4e − donor alkyne complexes†‡ Hanne Nuss,§ a Nicolas Claiser,* a Sébastien Pillet, a Noël Lugan,* b,c Emmanuelle Despagnet-Ayoub... 
Journal Article
Acta crystallographica. Section A, Foundations and advances, ISSN 2053-2733, 08/2016, Volume 72, Issue a1, pp. s85 - s85
Journal Article
Physics Procedia, ISSN 1875-3892, 2013, Volume 42, pp. 10 - 17
A new charge and spin density model and the corresponding refinement software were recently developed to combine X- ray and polarized neutron diffraction... 
Charge density | Joint refinement | Molecular magnetism | Spin density | End-to-end azido bridge
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 2018, Volume 148, Issue 16, p. 164106
In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO ferromagnetic crystal. The... 
Condensed Matter | Materials Science | Physics
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2018, Volume 148, Issue 16, p. 164106
In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO3 ferromagnetic crystal. The... 
POLARIZED NEUTRON | 3RD-ROW ATOMS | MOLECULAR-ORBITAL METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | X-RAY | CHEMISTRY, PHYSICAL | GAUSSIAN-TYPE BASIS | SYSTEMS | DIFFRACTION DATA | BASIS-SETS
Journal Article
Acta crystallographica. Section A, Foundations and advances, ISSN 2053-2733, 08/2019, Volume 75, Issue a2, pp. e351 - e351
Journal Article
Acta crystallographica. Section A, Foundations and advances, ISSN 2053-2733, 12/2017, Volume 73, Issue a2, pp. C1364 - C1364
Journal Article