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

• Autores: Aurora E. Clark, Ernest R. Davidson, Jeffrey Zaleski
• Localización: Chemical communications, ISSN 1359-7345, Nº. 23, 2003, págs. 2876-2877
• Idioma: inglés
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• Resumen

  • 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 systems