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Solving and refining inorganic structures
Cernư, R. and Favre-Nicolin, V.  International Tables for Crystallography (2019). Vol. H, ch. 4.5, pp. 442-451 [ doi:10.1107/97809553602060000960 ]
... and simple algorithm called the dynamical occupancy correction (DOC) by Favre-Nicolin & Cernư (2002 ). For each proposed model, all atom positions ... function penalizing the improbable atomic configurations provides the best results (Favre-Nicolin & Cernư, 2002 ). Similarly, with DOCs the anti-bump cost ... with atoms overlapping, an anti-bump penalty (see, for example, Favre-Nicolin & Cernư, 2002 ) can be used to avoid this solution. ...

Hybrid compounds
Cernư, R. and Favre-Nicolin, V.  International Tables for Crystallography (2019). Vol. H, Section 4.5.4.2, p. 449 [ doi:10.1107/97809553602060000960 ]
Hybrid compounds 4.5.4.2. Hybrid compounds Hybrid compounds are solved by various methods, but topology-guided algorithms are most specific to these types of compounds. Large MOF structures such as chromium terephthalate, MIL-101, having a cell volume of 702000Å3, can be solved by topology-guided algorithms (Férey et al., 2005 ...
     [more results from section 4.5.4 in volume H]

Structure validation - theoretical issues
Cernư, R. and Favre-Nicolin, V.  International Tables for Crystallography (2019). Vol. H, Section 4.5.3.5, pp. 447-448 [ doi:10.1107/97809553602060000960 ]
... with atoms overlapping, an anti-bump penalty (see, for example, Favre-Nicolin & Cernư, 2002 ) can be used to avoid this solution. Note ... and one-dimensional antiferromagnetic properties. Chem. Mater. 21, 3356-3369.GoogleScholar Favre-Nicolin, V. & Cernư, R. (2002). FOX, `free objects for crystallography': ...
     [more results from section 4.5.3 in volume H]

The choice of the cost function in DSM algorithms
Cernư, R. and Favre-Nicolin, V.  International Tables for Crystallography (2019). Vol. H, Section 4.5.2.7, p. 445 [ doi:10.1107/97809553602060000960 ]
... function penalizing the improbable atomic configurations provides the best results (Favre-Nicolin & Cernư, 2002 ). Similarly, with DOCs the anti-bump cost ... of the powder diffraction data and crystallographers' experience. References Brodski, V., Peschar, R. & Schenk, H. (2005). Organa - a program package ... by direct-space methods. J. Appl. Cryst. 38, 688-693.GoogleScholar Favre-Nicolin, V. & Cernư, R. (2002). FOX, `free objects for ...
     [more results from section 4.5.2 in volume H]

The molecular/non-molecular and the organic/inorganic boundaries
Cernư, R. and Favre-Nicolin, V.  International Tables for Crystallography (2019). Vol. H, Section 4.5.1, p. 442 [ doi:10.1107/97809553602060000960 ]
The molecular/non-molecular and the organic/inorganic boundaries 4.5.1. The molecular/non-molecular and the organic/inorganic boundaries An inorganic compound may be defined as a compound that does not correspond to the definition of organic compounds according to IUPAC (Rigaudy & Klesney, 1979 ). The separation of compounds by the ...

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