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Discrete coordinates

Polymer Particle Balances (PEEK In the case of multiconponent emulsion polymerization, a multivariate distribution of pjarticle propierties in terms of multiple internal coordinates is required in this work, the polymer volume in the piarticle, v (continuous coordinate), and the number of active chains of any type, ni,n2,. .,r n (discrete coordinates), are considered. Therefore... [Pg.381]

Prussian blue was the first coordination polymer and has found extensive applications as a dye and ink. It has inspired the related Hoffman clathrates which are also CN bridged coordination polymers. In contrast Werner clathrates are based on discrete coordination complexes as the host but they do display some of the robustness of coordination polymers. [Pg.621]

Focusing on As, we note that in effect, the discrete coordinate shift Ax > (defined below Equation (3.77)) is replaced here by the continuum coordinate shift D(Ap), in which Z)(Ap) 2 is proportional to a reorganization energy density (per unit volume) [39], Equation (3.89) is a generalization of Equation (3.88), in which D is a function of the dielectric constant (i.e., with inclusion of the image effects neglected in Equation (3.88) [12,22]) ... [Pg.397]

In order to approximate its solution, we establish a grid of equally spaced points in the interval [0, R] of the radial coordinates. Denoting the corresponding mesh constant by h, the gridpoints are defined by the discrete coordinates ... [Pg.234]

It is interesting that Eq. (4.98), p. 97, offers a discrete-state partition function for the description of the inner-sphere contribution to the thermodynamics. But the discrete coordinate is an occupation number for a precisely defined configurational region, and parameters required for this discrete-state partition function are obtained by molecular-level calculations. Therefore, molecular realism isn t the first casualty of these theories, although strong approximations are typically accumulated after the formulation of quasi-chemical theories. [Pg.143]

An algorithm to solve the boundary value formulation uses the local stationary conditions on the action and seeks a simultaneous solution for the coordinates at all times. Consider a set of discrete coordinates that we use to approximate the trajectory Ai,. ..,Xn where the initial and final coordinate sets of the trajectory, Xi and A v, are fixed. We have N — 2 (possibly non-linear) coupled equations for the coordinates of the remaining time slices based on the local stationary conditions... [Pg.442]

Although redox properties of discrete coordination compounds are well investigated, the corresponding behavior of infinite coordination polymers has scarcely been investigated because of their insolubility. The coordination polymer, [ CuCl2(BpyP) 201 11.275H20] ... [Pg.254]

In the last decades, the design and fabrication of helical architectures that mimic some of these bio-related helices have become a very big challenge for supramolecu-lar chemists. Among the different approaches that one can use, coordination chemistry has certainly become one of the most valuable tools to obtain helical coordination structures. The first efforts were dedicated to the design of discrete coordination complexes with helicate architectures. " However, more recently, the number of reported helical CPs has increased exponentially, becoming one of the most promising ways to construct these fascinating systems. [Pg.1429]

While Wemer complexes are based on discrete coordination complexes, another type of coordination compound with a distinctive extension into 2D layers through utilization of ditopic bidentate ligands was developed and first reported by K. A. Hofmann in 1897, Ni(NH3)2Ni(CN)4 2(C6H6). Hofmann-type compounds also exhibit inclusion properties of suitably sized guest molecules. Iwamoto and coworkers prepared a number of derivatives of Hofmann clathrates (Figure 2). [Pg.2412]

Ma Z, Moulton B. Recent advances of discrete coordination complexes and coordination polymers in drug delivery. Coord Chem Rev 2011 255 1623 1. [Pg.109]


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Cartesian coordinates Discretization

External coordinates discrete

Internal coordinate discretization

Internal coordinates discrete

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