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Publications by Francesc Illas
Computational Materials: Open Data Settled in Materials Theory
Nature
Multidisciplinary
Transition Metal Carbides as Novel Materials for CO2 Capture, Storage, and Activation
Energy and Environmental Sciences
Sustainability
Renewable Energy
Nuclear Energy
Environmental Chemistry
Engineering
the Environment
Pollution
Highly Active Au/Δ-MoC and Cu/Δ-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids
Physical Review Letters
Astronomy
Physics
Prospective Role of Multicenter Bonding for Efficient and Selective Hydrogen Transport
Physical Review Letters
Astronomy
Physics
Effect of the Exchange-Correlation Potential on the Transferability of Brønsted–Evans–Polanyi Relationships in Heterogeneous Catalysis
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Correction to Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO2 Nanoparticles
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Matildite Versus Schapbachite: First-Principles Investigation of the Origin of Photoactivity inAgBiS2
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
The Bending Machine: CO2 Activation and Hydrogenation on Δ-MoC(001) and Β-Mo2C(001) Surfaces
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Consequences of Electron Correlation for XPS Binding Energies: Representative Case for C(1s) and O(1s) XPS of CO
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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