Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Molecular orbitals
6
Configuration interactions
4
Electron localization function
4
Expectation values
4
Natural orbitals
4
Slater determinants
4
Wave functions
4
Change of basis
3
Electrospinning
3
Magnetic moments
3
Quantitative evaluation
3
Rapid convergence
3
Unitary transformations
3
Localization algorithm
2
Localization index
2
Localization procedure
2
Molecular systems
2
Topological analysis
2
Topology
2
electron localization function
2
Bonding analysis
1
Boron clusters
1
Chemical analysis
1
Chemical bonding
1
Chemical bondings
1
Chemical bonds
1
Compactness of wave functions
1
Complementary tools
1
Configuration interaction method
1
Correlation energy
1
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1Materias: “...localized molecular orbital...”
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2por Oña, O.B., Torres-Vega, J.J., Torre, A., Lain, L., Alcoba, D.R., Vásquez-Espinal, A., Tiznado, W.Materias: “...Localized orbitals...”
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3Materias: “...Molecular orbitals...”
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4Materias: “...Natural orbitals...”
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5Materias: “...Natural orbitals...”
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6Materias: “...Natural orbitals...”
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7Materias: “...Molecular orbital theory...”
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8Materias: “...orbital localization criterion...”
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9Materias: “...Optimization of molecular orbital basis sets...”
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