Keyphrases
Cluster Calculations
100%
Molecular Clusters
100%
(100) Surfaces
100%
Ni(100)
100%
CO Molecule
100%
CO2 Chemisorption
100%
Hollow
40%
Ni Atom
40%
Ionization Energy
40%
Nickel Surfaces
40%
Carbon Dioxide
20%
Four-level
20%
Two-level
20%
Energy Levels
20%
Bond Distance
20%
Charge Distribution
20%
Five-level
20%
Binding Energy
20%
Chemisorbed
20%
Nearest Neighbor
20%
Hartree-Fock
20%
Carbon Atom
20%
Chemisorption
20%
Fermi Energy
20%
Vibrational Frequencies
20%
Bond Angle
20%
Energy Distribution
20%
Stable Configuration
20%
Bonding Configuration
20%
Energy Separation
20%
Overlap Population
20%
Orbital Population
20%
Chemistry
Ionization Potential
100%
Chemisorption
100%
Molecular Cluster
100%
Carbon Atom
50%
Vibrational Frequency
50%
Electron Energy Loss Spectroscopy
50%
Point Group C4v
50%
Charge Distribution
50%
Bond Angle
50%
Binding Energy
50%
Carbon Monoxide
50%
Engineering
Ionization Potential
100%
Good Agreement
50%
Bonding Configuration
50%
Fermi Energy
50%
Energy Separation
50%
Binding Energy
50%
Nearest Neighbor
50%
Material Science
Chemisorption
100%
Surface (Surface Science)
100%
Carbon Monoxide
20%