Static and Dynamic Electronic (Hyper)polarizabilities of Dimethylnaphthalene Isomers: Characterization of Spatial Contributions by Density Analysis

<table>Calculated <svg height="21.9125" id="M231" style="vertical-align:-4.15506pt" version="1.1" viewbox="0 0 42.787498 21.9125" width="42.787498" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
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q0 16 13.5 31.5t28.5 15.5q12 0 17 -11q5 -10 25 -10q22 0 57.5 36t89.5 111l-40 108q-22 58 -36 58q-21 0 -67 -57l-19 20q81 107 125 107q17 0 30 -22t39 -88l22 -55q68 92 108.5 128.5t74.5 36.5q20 0 32.5 -14t12.5 -30z" id="x1D465"></path></g><g transform="matrix(.012,-0,0,-.012,15.876,21.7)"><path d="M536 404q0 -17 -13.5 -31.5t-26.5 -14.5q-8 0 -15 10q-11 14 -25 14q-22 0 -67 -50q-47 -52 -68 -82l37 -102q31 -88 55 -88t78 59l16 -23q-32 -48 -68.5 -78t-65.5 -30q-19 0 -37.5 20t-29.5 53l-41 116q-72 -106 -114.5 -147.5t-79.5 -41.5q-21 0 -34.5 14t-13.5 37
q0 16 13.5 31.5t28.5 15.5q12 0 17 -11q5 -10 25 -10q22 0 57.5 36t89.5 111l-40 108q-22 58 -36 58q-21 0 -67 -57l-19 20q81 107 125 107q17 0 30 -22t39 -88l22 -55q68 92 108.5 128.5t74.5 36.5q20 0 32.5 -14t12.5 -30z" id="x1D465"></path></g>
<g transform="matrix(.017,-0,0,-.017,23.788,16.675)"><path d="M300 -147l-18 -23q-106 71 -159 185.5t-53 254.5v1q0 139 53 252.5t159 186.5l18 -24q-74 -62 -115.5 -173.5t-41.5 -242.5q0 -130 41.5 -242.5t115.5 -174.5z" id="x28"></path></g><g transform="matrix(.017,-0,0,-.017,29.669,16.675)"><path d="M393 379q-9 -16 -28 -29q-15 -10 -23 -2q-19 19 -36 19q-21 0 -52 -38q-57 -72 -82 -126l-40 -197q-23 -3 -75 -18l-7 7q49 196 74 335q7 43 -2 43q-7 0 -30 -14.5t-47 -37.5l-16 23q37 42 82 73t67 31q41 0 15 -113l-11 -50h4q41 71 85 117t77 46q29 0 45 -26
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</svg> density distributions for the 1,4-DMN (top) and 2,3-DMN (bottom) isomers. Positive and negative are represented by yellow and blue isosurfaces (0.001 a.u.), respectively. CAM-B3LYP/6-31+G* results.</table>

The Scientific World Journal

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Figure 4

Figure 4: Static and Dynamic Electronic (Hyper)polarizabilities of Dimethylnaphthalene Isomers: Characterization of Spatial Contributions by Density Analysis 

Figure 4 | Static and Dynamic Electronic (Hyper)polarizabilities of Dimethylnaphthalene Isomers: Characterization of Spatial Contributions by Density Analysis 