forthcoming articles in Acta Crystallographica Section A

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

See also Forthcoming articles in all IUCr journals.

Accepted 3 September 2014

High-symmetry embeddings of interpenetrating periodic nets. Essential rings and patterns of catenation

C. Bonneau and M. O'Keeffe

Accepted 29 August 2014

Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method

T. R. Ramadhar, S.-L. Zheng, Y.-S. Chen and J. Clardy

Synopsis: This report describes complete practical guidelines and insights for the crystalline sponge method, which have been derived through the first use of synchrotron radiation on these systems, and includes a procedure for faster synthesis of the sponges. These guidelines will be applicable to crystal sponge data collected at synchrotrons or in-house facilities, and will allow researchers to obtain reliable high-quality data and construct chemically and physically sensible models for guest structural determination.

Accepted 22 August 2014

From direct-space discrepancy functions to crystallographic least squares

C. Giacovazzo

Synopsis: Crystallographic least-squares properties are derived from discrepancy functions working in direct space.

Accepted 20 August 2014

Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry

P. Mörschel and M. U. Schmidt

Synopsis: A new crystallographic quantum-mechanical/molecular-mechanical model for the prediction of molecular crystal structures is described. Applications include polymorphic systems and molecules from the CCDC blind tests of crystal structure prediction.

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