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Affinities of solvated rare earth cations with collectors and mineral interfaces: A density functional theory investigation

Orientation of Corannulenes inside Carbon Nanotubes

Isolated Pb adstructures on Ge(1 0 0) slabs with variable thickness

First-principles thermochemical properties of hexagonal and cubic phase BaMnO3

Hydrazine Hydrate Intercalated 1T-Dominant MoS2with Superior Ambient Stability for Highly Efficient Electrocatalytic Applications

Theoretical study of the initial stages of Ba growth on Si(100) substrate

An experimental and theoretical investigation on the oxidation of co over pd/c derived from the spent pd catalyst

Computational defect engineering of d⁰ oxide & oxynitride photocatalysts

Defects Engineering Induced Ultrahigh Magnetization in Rare Earth Element Nd-doped MoS2

Materials design and optimization for next-generation solar cell and light-emitting technologies

Convergence rate analysis of Gaussian belief propagation for Markov networks

Dechlorination and defluorination capability of sulfidized nanoscale zerovalent iron with suppressed water reactivity

Effect of Manganese on the selective catalytic hydrogenation of CO x in the presence of light hydrocarbons over Ni/Al2O3: an experimental and computational study

Experimental, computational and thermodynamic studies in perovskites metal oxides for thermochemical fuel production: a review

First-principles investigation of trends in high-temperature thermochemistry of perovskite oxides

Tuning the catalytic preference of ruthenium catalysts for nitrogen reduction by atomic dispersion

Electronics of Ba adsorbed on Ge(001)

Giant spin splitting induced by a symmetry-braking van der Waals interaction

Performance of DFT for C-₆₀ isomerization energies: a noticeable exception to Jacob's ladder

Quantum chemical investigation of the growth and chemistry of graphene

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