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Computational Materials Science


Coherent transport through spin-croosover single molecules.


The Nature of the [TTF]·+··· [TTF]·+ Interactions in the [TTF]22+ Dimers Embedded in Charged [3]Catenanes: Room-Temperature Multicenter Long Bonds.


A New type of Strong Metal-Support Interaction and the Production of H2 through the Transformation of Water on Pt/CeO2(111) and Pt/CeOx/TiO2(110) catalysts.


Efficient nucleation of stardust silicates via heteromolecular homogeneous condensation.


Formation of one-dimensional electronic states along the step edges of CeO2(111)


Disruption of the Chemical Environment and Electronic Structure in p-Type Cu2O Films by Alkaline Doping


See the whole list of IQTCUB highligts here.