An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor–Acceptor Dye Assisted by Resonance Raman Spectroscopy

Published 2012 View Full Article

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Title
An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor–Acceptor Dye Assisted by Resonance Raman Spectroscopy
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 1, Pages 543-554
Publisher
American Chemical Society (ACS)
Online
2012-11-27
DOI
10.1021/ct3009057

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