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This tool allows you to dress the molecule's polarizabilities with the local electric fields and gradients from model spheres, dimers, and flat surfaces in order to generate the surface-enhanced Raman spectrum. The tool also allow you to change the molecule's orientation with respect to the surface in order to see how the spectrum changes. See the attached "User Guide" for details on how to use this tool.
This work was supported by the NSF Center for Chemical Innovation dedicated to Chemistry at the Space-Time Limit (CHE-1414466).
D.V. Chulhai and L. Jensen J. Phys. Chem. C 2013, 117, 19622.
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- field enhancement