A TDDFT description of the low-energy excited states of copper and zinc metalloenediynes

Literature Information

Publication Date 2003-10-22
DOI 10.1039/B308633J
Impact Factor 6.222
Authors

Aurora E. Clark, Ernest R. Davidson, Jeffrey M. Zaleski


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Abstract

Time-dependent density functional theory shows that the photoreactivities of copper and zinc metalloenediynes derive from multi-configurational excited states involving the enediyne and pyridine π systems.

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