Scuola Internazionale Superiore di Studi Avanzati
206 papers found
Properties of Pt-supported Co nanomagnets from relativistic density functional theory calculations
Activated Adsorption of Ethylene on Atomic-Oxygen-Covered Ag(100) and Ag(210): Formation of an Oxametallacycle
Unraveling excited states of doped helium clusters
Three-dimensional tomography of the beryllium fermi surface: surface charge redistribution.
Computational spectroscopy of carbon monoxide isotopomers in helium clusters
Characterizing In and N impurities in GaAs fromab initiocomputer simulation of (110) cross-sectional STM images
Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110)
SixC1−xO2 Alloys: A Possible Route to Stabilize Carbon-Based Silica-Like Solids?
Defect-Controlled Transport Properties of Metallic Atoms along Carbon Nanotube Surfaces
Structure and dynamics of the missing-row reconstruction on O/Cu(001) and O/Ag(001)
Interaction of Hydrogen with Cerium Oxide Surfaces: a Quantum Mechanical Computational Study
Methane dehydrogenation on Rh@Cu(111): a first-principles study of a model catalyst
Ab initio simulation of Si-doped GaAs(110) cross-sectional surfaces
Monitoring two-dimensional coordination reactions: directed assembly of co-terephthalate nanosystems on Au(111).
DFT Study of a Weakly π-Bonded C2H4on Oxygen-Covered Ag(100)
Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy.
Reply to “Comment on ‘Taming multiple valency with density functionals: A case study of defective ceria' ”
Electronic and atomistic structures of clean and reduced ceria surfaces.
Computational spectroscopy of helium-solvated molecules: Effective inertia, from small He clusters toward the nanodroplet regime
Spin-Flop Ordering from Frustrated Ferro- and Antiferromagnetic Interactions: A Combined Theoretical and Experimental Study of aMn/Fe(100)Monolayer
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