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. 2017 Jun 7;146(21):214114. doi: 10.1063/1.4984820

FIG. 4.

FIG. 4.

Illustration of the lowest electronic transition in dodecylbenzene in terms of the dominant occupied (red, bottom) and virtual (blue, top) CIS-NTOs (aug-cc-pVDZ′ basis). The contour plot value was set to 0.02 a.u.59