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Electronic structure
6
Computer simulation
3
Mathematical models
3
Adsorption
2
Bonding
2
Dislocations (crystals)
2
Hydrogen
2
Iron
2
Positive ions
2
Single crystals
2
Atom superposition
1
Bond strength (chemical)
1
Bonding mechanism
1
COOP
1
Capped trigonal prism (CTP)
1
Carbon nanotubes
1
Catalyst activity
1
Catalysts
1
Ce-Pr mixed oxides
1
Chemical bonds
1
Chemical embrittler
1
Clustering
1
Clustering effect
1
Coordination reactions
1
Coordination structures
1
DFT
1
DFT calculation
1
DFT calculations
1
DOS
1
Delocalizations
1
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