How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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Patched bimetallic surfaces are active catalysts for ammonia decomposition Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment.

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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im Juni 2013 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в червні 2013

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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Giuliano Carchini

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Luca Bellarosa

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Núria López

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Piotr Błoński

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Ground State of the Electron Gas by a Stochastic Method

Density-functional thermochemistry. III. The role of exact exchange

Generalized Gradient Approximation Made Simple

Self-Consistent Equations Including Exchange and Correlation Effects

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Global optimization of clusters, crystals, and biomolecules.

Atomic-scale imaging of carbon nanofibre growth.

Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.

Gold catalysis.

Ab-initio simulations of materials using VASP: Density-functional theory and beyond.

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s11244-013-0093-3

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1262-1272

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scholarly article

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10.1007/S11244-013-0093-3

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13-14

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P478

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Guillermo Revilla-López

Rodrigo García-Muelas

Max García-Melchor

Neyvis Almora-Barrios

Sergey Pogodin

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2013-06-25T00:00:00Z

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nanoparticle

general chemistry

How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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P2093

P2860

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P356

P433

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P577

P921

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P2093

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P356

P433

P478

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P577

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