Sentence examples for chemically sensible from inspiring English sources
Neither approach is well-suited to generating or identifying chemically sensible conformers for larger non-organic molecules.
Neutralize each ionic structure using a hydrogen atom, if chemically sensible.
In such refinements, the minimum may be poorly defined and restraints are added to ensure that the model is chemically sensible.
The occurrence of positional disorder for these atoms is chemically sensible.
These fragments should be carefully reassembled to form a contiguous host moiety in order to facilitate refinement and to depict a chemically sensible model.
It has become customary to rely on the use of two techniques to solve such issues: Restraints: by having a non-zero second term in equation (1) – with the use of appropriate weighting of the restraints – the minimization is gently pushed towards giving a chemically sensible and hopefully correct structure.
Model structures that are crystal-chemically sensible are given for Mg- and Ni-based LDH phases – including α- M OH 2 phases – and also for β-Zn(OH 2.
Crystal-chemically sensible model structures are provided for β-Zn(OH 2 and Ni- and Mg-based carbonate LDH phases that have any trivalent cation and any value of x, including x = 0 [ i.e. for α- M OH 2· mH2O phases].
An increase or decrease in the c parameter results in expansion or compression of the central Ca O core of the structure and so it is important that this issue is addressed if crystal-chemically sensible distances and coordinations are to be retained in the model structure.
Model structures are provided that are crystal-chemically sensible for Ni- and Mg-based LDH phases that have any value of x (that is consistent with experiment), seemingly any trivalent cation, and that have carbonate as the charge-balancing interlayer ion.
Comparison with Baneyeva and Popova's structure show that it gives an improved match with the X-ray diffraction data and that the Zn—O distance is the same as that calculated using the effective ionic radii instead of being much longer, so the proposed structure is crystal-chemically more sensible.
