Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Density functional theory
2
Binding energy
1
Cluster structures
1
Crystal atomic structure
1
Density functional
1
Dissociation energies
1
Electronic structure
1
Energy functions
1
Fragmentation channels
1
Gauge-including-atomic-orbitals
1
Highest occupied molecular orbitals
1
Lowest un-occupied molecular orbitals
1
Molecular modeling
1
Molecular orbitals
1
Nuclear magnetic resonance shielding
1
Oxide clusters
1
Polarizabilities
1
Semi-empirical
1
Stable structures
1
Structural motifs
1
Theoretical predictions
1
article
1
calculation
1
carbon
1
carbon 13
1
carbon nuclear magnetic resonance
1
chemical bond
1
chemical structure
1
density
1
geometry
1
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1Materias: “...Highest occupied molecular orbitals...”
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2