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Milichko, Valentin A. (author), Khramenkova, E. (author), Dzyuba, Vladimir P. (author), Pidko, E.A. (author)
This is a response to a comment on the interpretation of the origin of the nonlinear changes of optical properties of van der Waals' metal–organic frameworks (MOFs). The concerns are addressed by clarifying potential pitfalls in density functional theory (DFT) simulations, careful analysis of prior literature, and additionally discussing the...
journal article 2017