forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section A: Foundations and Advances.

See also Forthcoming articles in all IUCr journals.

Accepted 5 October 2018

Nonlinear optical organic inorganic crystals: Synthesis, structural analysis, and verification of harmonic generation in tri-(o-Chloro­anilinium Nitrate)

We discuss in this work, the fundamental question concerning the structure-properties relationship of an interesting organic inorganic material. This analysis is based on the structural investigation coupled to the Hirshfeld surfaces and nonlinear optical (NLO) properties.

Accepted 2 October 2018

Reducing dynamical electron scattering reveals hydrogen atoms

Experimental and computational reduction of dynamical electron scattering allows for visualizing of individual hydrogen atoms.

Accepted 29 September 2018

Aspherical scattering factors for SHELXL – model, implementation and application

A new aspherical scattering factor formalism was implemented in SHELXL. It relies on Gaussian functions and can optionally complement the independent atom model to take into account the deformation of electron-density distribution due to chemical bonding and lone pairs. The automated atom-type assignment was derived from the invariom formalism.


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