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This section is unavailable in an archive version of a tool. Consult the latest published version 1.5.3 for most current information.

UV/Vis Spectra simulator

By Baudilio Tejerina

Northwestern University

This tool computes molecular electronic spectra.

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This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.5.1a
Published on 08 Jun 2009, unpublished on 03 Nov 2009
Latest version: 1.5.3. All versions

doi:10.4231/D3RN3070S cite this

This tool is closed source.



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UVSpec uses the SCF-MO package ORCA to calculate molecular electronic structures. Excited states are calculated via CI-singles (CIS) with the semiempirical Hamiltonian ZINDO. The MO and Absorption spectrum are displayed graphically.


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