Angle optimal

FIGURE 2.10 Relative error of the normalized phase velocity (a) for a 2-D angle-optimized FDTD scheme, optimized at 22.5° without filtering and (b) for a 3-D Chebyshev angle-optimized FDTD scheme at 9 = 90°,

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S. Wang and F. L. Teixeira, A three-dimensional angle-optimized finite-difference time-domain algorithm, IEEE Trans. Microw. Theory Tech., vol. 51, no. 3, pp. 811-817, Mar. 

Then the SAM formation was studied. To this end, the orientation of the molecule with respect to the surface and the size of the aliphatie ehain were incrementally changed. A transition from perpendicular to tilted structures was calculated for n = 7, after which the tilt angle to the surface is 35° (see Fig. 5.13). This angle optimizes the lateral-lateral interactions. The adsorption energy decreases with increasing chain length (to reach the value of -2.77 eV for n = 9). This was attributed to the stabilization by van der Waals forces through lateral interactions. 

Use MO theory to constmct an argument not based on bond angle optimization that explains why cyclooctatetraene is not planar. 

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