Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans’ theorem

Article

Fecha

2019

Registro en:

715, , 354-359

00092614

https://hdl.handle.net/20.500.12728/6179

https://repositorioslatinoamericanos.uchile.cl/handle/2250/5145787

Autor

Sandoval-Yañez C.

Martínez-Araya J.I.

Institución

Universidad Autónoma de Chile

Materias

Global reactivity

Koopmans’ theorem

Finite difference method

Density functionals

Finite difference approximations

Global reactivity descriptors

Density functional theory

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