A common and useful parameter for the explanation of the compositional dependence on the physical properties is the coordination number
Z of covalent bonds per atom, characterizing the structural atomic units [5,13,14].
Then, the stress-strain curve and the mechanical parameters were obtained in different directions, and the microscopic mechanism of two anisotropic conditions is explained by the micromechanic parameters such as the average coordination number
and the normal contact force of the particles.
The peak position of the charge transfers between O and a metal cation depends on the species, coordination number
, and coordination symmetry of the cation.
Changes in the number of Lewis acid sites occur because of the change in the coordination number
of aluminum or oxygen .
To obtain the time average for the ion-pairing and the hydration number, the radial distribution functions (RDF) and their integrals (related to coordination number
, CN) for different atom pairs were calculated over the simulation time using VMD .
The coordination number
of water molecules in the unstable clusters was somewhat different due to the size differences of gas molecules (coordination number
of methane, 20; coordination number
of propane, 28) .
Thus, for rather weak organic bases which [pK.sub.a] value does not exceed five, the six molecules of organic ligand are the part of the internal sphere according to coordination number
of complexing agent metal.
The Elemental analysis, Magnetic susceptibility, Electronic and [sup.1]HNMR, FTIR observations suggest that the octahedral geometry for Pt(II) and Pd(II) complexes and exhibit coordination number
The coordination number
of Ag(I) is one, hence, a linear geometry is expected for this complex, provided the ligand coordinated in a monodentate fashion.
The innermost shell coordination number
of [Fe.sup.2+] with O(=C) is 2.00 which is twice of [Na.sup.+] coordination number
, and the distance between [Fe.sup.2+] and the closest O(=C) is shorter than that between [Na.sup.+] and 0(=C).
This result was surprising, because usually lattices shrink when they have a lower coordination number
, a process known as surface contraction.
The structural properties are analyzed in detail by the radial distribution function (RDF), angular distribution function (ADF), coordination number
(CN), and visualization technology.