Enhanced rigid-bond restraints

By Andrea Thorn, B. Dittrich, G. Sheldrick. Acta Crystallographica Section A Foundations of Crystallography, 2012

152 citations recorded by the source corpus.

An extension is proposed to the rigid-bond description of atomic thermal motion in crystals.

Subfields: Materials Chemistry, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/da80af46567bd88b99201e4c4c0087058d6b525b

How researchers see this paper

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In Materials Chemistry

1. G. Sheldrick
2. G. Winter
3. G. Taylor
4. A. Coelho
5. L. Farrugia
6. A. Spek
7. P. Müller
8. Robert M. Hanson

In Molecular Biology

1. G. Sheldrick
2. G. Winter
3. G. Taylor
4. Robert M. Hanson
5. P. Müller
6. A. Coelho
7. L. Farrugia
8. A. Spek

In Spectroscopy

1. G. Sheldrick

Citations in the corpus

• Crystal structure refinement with SHELXL (2015, background): “Unfortunately, this results in about twice as many parameters as for a standard refinement against X-ray data, and the number of data available may well be less than for an X-ray refinement, so further restraints such as the new RIGU rigid-bond restraint (Thorn et al., 2012) may be required.”