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\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Evolution of the orientational order parameters for the no-field, partial field, and full field simulations over the course of 60 ns. Each simulation was started from a statistically-independent isotropic configuration. On the right are ellipsoids representing the final configurations at three different field strengths: zero field (bottom), partial field (middle), and full field (top)\relax }}{8}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces Cluster calculations were performed on randomly sampled 5CB molecules (shown in red) from each of the simulations. Surrounding molecular bodies were included if any body atoms were within 6 \r A\ of the target nitrile bond, and tails were included if they were within 4 \r A. Included portions of these molecules are shown in green. The CN bond on the target molecule was stretched and compressed, and the resulting single point energies were fit to Morse oscillators to obtain a distribution of frequencies.\relax }}{10}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {3}{\ignorespaces Quantum mechanical nitrile spectrum for the no-field simulation (black) and the full field simulation (red). The lower panel shows the corresponding classical bond-length autocorrelation spectrum for the flexible nitrile measured relative to the natural frequency for the flexible bond.\relax }}{14}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {5}{\ignorespaces Contours of the angle-dependent pair distribution functions for nitrile bonds on 5CB in the zero-field (upper panel) and full field (lower panel) simulations. Dark areas signify regions of enhanced density, while light areas signify depletion relative to the bulk density.\relax }}{17}} |
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