David Fairen-Jimenez

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The crystal structure of the small pore scandium terephthalate Sc(2)(O(2)CC(6)H(4)CO(2))(3) (hereafter Sc(2)BDC(3), BDC = 1,4-benzenedicarboxylate) has been investigated as a function of temperature(More)
Ab initio molecular dynamics (AIMD) simulations have been used to predict structural transitions of the breathing metal-organic framework (MOF) MIL-53(Sc) in response to changes in temperature over(More)