Listar INVESTIGACIÓN por autor "Gomez, Tatiana"
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Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
Múñoz, Macarena [Univ Mayor, Nucleo Matemat Fis & Estadist, Fac Ciencias, Manuel Montt 367, Santiago, Chile]; Cárdenas, Carlos; Contreras, Julia; Ayers, Paul W.; Gomez, Tatiana; Fuentealba, Patricio (PEKING UNIV PRESS, 2018)Chemical reactivity towards electron transfer is captured by the Fukui function. However, this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground states. In such a case, the first-order ...