Crystallographic and refinement data for complexes
Synthesis, crystallographic, spectroscopic studies and biological activity of new cobalt(II) complexes with bioactive mixed sulindac and nitrogen-donor ligands
... Crystal data and details of the data collection and refinement are summa- rized in Table 6 and in Additionalfile 5: Supplementary crystallographic data for complexes 1 and ...
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Crystallographic studies of some tetracyaquidimethane complexes
... Subsequent refinement did not prove acceptable as the R-value increased substantially and it was decided to finish the refinement in the non-centrosymmetric space ...
231
A crystallographic and spectroscopic investigation of some organo chalcogen complexes of ruthenium
... The linear nitrosyl ligand is trans to the diethyl sulphoxide group which is coordinated through its oxygen atom. Figure 6.1 is a perspective drawing of a molecu[r] ...
255
Synthesis, characterization, spectroscopic and crystallographic investigation of metal complexes of N benzyl N nitrosohydroxylamine
... Spectrophotometric titration of aqueous solutions of BNHА by salts of some transition metals allowed to calculate the composition and formation constants of the metal complexes. The crystal structure of Cu (BNHА) ...
6
Spin state behavior of iron(II)/dipyrazolylpyridine complexes. New insights from crystallographic and solution measurements
... low-spin complexes in ...2+ complexes behave as expected in this regard, with a good correlation between the average Fe−N bond length and the ligand bite ...2+ complexes belong to a family where two ...
48
Crystallization of RNA-protein complexes I. Methods for the large-scale preparation of RNA suitable for crystallographic studies
... The third method described here overcomes this restriction and involves transcription of a plasmid template in which the gene encoding the desired RNA sequence is[r] ...
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Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data
... ligand-protein complexes for which X-ray crystallographic data are available, with many important biological targets for which there are complexes with a range of different ...such data ...
21
Abstract: X-ray crystallographic and theoretical charge density data for a series of compounds
... the degree of delocalisation was derived from the exchange density. The delocalization indices between two atomic basins gave reasonable indications between the formal bond orders between the atoms in the ...
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Grain refinement vs. crystallographic texture: Mechanical anisotropy in a magnesium alloy
... between crystallographic texture evolution and active deformation mechanisms in the presence of microstructural refinement is crucial to the development of hybrid SPD processing routes for Mg ...
6
A citation analysis of the Cambridge Crystallographic Data Centre
... of crystallographic data in general and of crystallographic databases in particular, and the longevity of several of the selected publications is a re¯ection of the de®nitive nature of databases such ...
7
Extraction of Abstraction Invariants for Data Refinement
... 3.3 Refinement between conjoined machine is not proved In this case, we have to prove refinement of the generated B machine (see our first example in sections 2.3 and 4), with some abstraction invariants. However, when the ...
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Classification of Crystallographic Data Using Canonical Correlation Analysis
... As already specified in Section 3.2, five different y vari- ables were defined, one for each tissue. CCA was applied between the experimental unidimensional data set and the above mentioned y variables. We obtained ...
8
Crystallographic textures
... Neutron diffraction is a tool of choice for characterizing crystallographic textures. Its main advantages over other existing techniques, and especially over the X-ray diffraction techniques, are essentially due ...
24
Similarity-aware query refinement for data exploration
... many data exploration problems where finding an optimal solution involves inspecting and examining a huge search space, possibly exponential, in a brute-force ...
156
Visualization Tools for Adaptive Mesh Refinement Data
... 3D data, requires no specialized graph- ics hardware, and can run in parallel on both SMP and distributed memory parallel ...arbitrary data ranges, and set viewing ...from data files and for pre- ...
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Visualization of Scalar Adaptive Mesh Refinement Data
... AMR data is made possible by marking coarse cells that are refined at a lower level as ...the data set and removes all cells or geometry resulting from a ghost ...
14
Specification Reuse using Data Refinement in Dafny
... provides refinement proofs to be validated while refining machines which preserve the correctness of the system throughout refinement ...of refinement in Event-B is slightly different as compared to ...
61
Orbits of crystallographic embedding of non-crystallographic groups and applications to virology
... blueprints is important, as it can be used, in combination with other techniques, in the analysis of low-resolution data of the genome organization in viruses (Geraets et al., 2015). Viruses are known to exhibit ...
15
Social Image Parsing by Cross-Modal Data Refinement
... cross-modal data refinement algorithm for social image parsing, or segment- ing all the objects within a social image and then identifying their ...cross-modal data refinement problem over a ...
7
Refinement of lithium tetrahydroxoborate with low temperature CCD data
... An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of ...
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