Van Yperen-De Deine, Andy; Hendrickx, Kevin; Vanduyfhuys, Louis; Sastre Navarro, German Ignacio; Van Der Voort, Pascal; Van Speybroeck, Veronique; Hemelsoet, Karen(Springer Verlag (Germany), 2016-03-25)
[EN] The absorption properties of UiO-type metal-organic frameworks are computed using TD-DFT simulations on the organic linkers. A set of nine isoreticular structures, including the UiO-66 and UiO-67 materials and ...