SERS Simulator

By Dhabih Chulhai

Pennsylvania State University

Simulate surface-enhanced Raman spectra from polarizabilities and fields and gradients

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Version 1.0 - published on 25 May 2016

doi:10.4231/D3125QB1P cite this

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First-Time User Guide View All Supporting Documents

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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.

Sponsored by

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 2013117, 19622.

Cite this work

Researchers should cite this work as follows:

  • Dhabih Chulhai (2016), "SERS Simulator," (DOI: 10.4231/D3125QB1P).

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