Density functional study of acrolein adsorption on Pt (111)

Silvina Pirillo; Ignacio López–Corral; E. D. German; A. Juan

doi:10.1016/j.vacuum.2013.06.013

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Density functional study of acrolein adsorption on Pt (111)

Silvina Pirillo Ignacio López–Corral E. D. German A. Juan

Year: 2013 Journal: Vacuum Vol: 99 Pages: 259-264 Publisher: Elsevier BV

DOI: 10.1016/j.vacuum.2013.06.013

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Keywords:

Acrolein Adsorption Chemistry Atomic orbital van der Waals force Density functional theory Population Molecular orbital Crystallography Computational chemistry Orbital overlap Crystal (programming language) Physical chemistry Chemical physics Molecule Catalysis Organic chemistry Physics

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Machine Learning in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Advanced Chemical Physics Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Molecular Junctions and Nanostructures

Physical Sciences → Engineering → Electrical and Electronic Engineering

Density functional study of acrolein adsorption on Pt (111)

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