Cristina Díaz
0000-0002-9318-5846
9 papers found
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Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes
Engineering the HOMO–LUMO gap of indeno[1,2-b]fluorene
A simple model to engineer single-molecule conductance of acenes by chemical disubstitution
Defect formation in a graphene overlayer on ruthenium under high pressure
Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)
Performance of van der Waals DFT approaches for helium diffraction on metal surfaces
Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surface
Graphene catalyzes the reversible formation of a C–C bond between two molecules
Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions
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