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UV/Vis Spectra simulator

By Baudilio Tejerina

Northwestern University

Molecular electronic spectra

Launch Tool

This tool version is unpublished and cannot be run.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 1.3
Published on 17 Jun 2008, unpublished on 26 Jun 2008
Latest version: 1.5.4. All versions

doi:10.4231/D3CR5NC0T cite this

This tool is closed source.



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

Tags, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.