Schematic representation configurational change

Fig. 2.17 Schematic representation of the structure of the zeolite natrolite [Na2Al2Si30io 2H2OI. (A) The (Si04, AIO4) chains, viewed parallel to c (along the chain length) and down c. The striped tetrahedra are AIO4. (B) The structure of natrolite and dehydrated natrolite. Solid circles are Na" , open circles are H2O, = axis of symmetry a/2 and b/2 indicate vector direction in the crystal structures. Note the rotation of tetrahedra and shift of the Na" positions in the dehydrated structure. Dehydration changes the configuration of the open areas between chains.

Figure 2. Schematic representation of the free energy changes in an enzyme-catalyzed reaction where the enzyme is complementary to either the substrate (broken lines) or to its transition state configuration (solid lines).

Figure 6.10 Schematic representation of mixing-determined reaction course for competitive parallel reactions (the configurations of the reaction components were changed by the author)...

Figure 1. Schematic representation of configurational change of polyions adsorbed onto outer surface of microcapsule (a) looped form (b) flat form.

FIG. 19 Schematic representation of the implementation of hyperparallel Monte Carlo. Each box in the figure represents a distinct replica of the system these replicas are simulated simultaneously in a single run. In addition to traditional Monte Carlo trial moves within each replica, distinct replicas can (1) change their state variables in the expanded dimension and (2) exchange or swap configuration with each other, thereby visiting different values of T and /r. 

Figure 6.1. Schematic representation of bond stretching and bond bending in the force-constant model. The filled circles denote the positions of atoms in the ideal configuration and the open circles represent their displaced positions Si, Sj are the atomic displacements, rij is the original bond length, r -j the distorted bond length, and AOij the change in orientation of the bond (the angular distortion).

Schematic and simplified representations of the CO2 molecular orbitals are shown in Fig. 1.3. Figure 1.4 illustrates qualitatively the variation of the MO energies with the change of OCO bond angle (diagram of Walsh [19]) and the correlation of symmetry representations of the molecular orbitals of CO2 among the point groups associated with the linear (Dooh) and bent (C2v) configuration.

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