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Toluene PBE0 dataset (1000 points)
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Toluene PBE0 dataset (1000 points)
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Décomposition de l'intéraction d'échange magnétique par l'approche à brisure de...
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Related Subjects
Computational Chemistry
Brisure de symétrie
Broken Symmetry
Chimie Théorique
Density Functionnal Theory
Hartree-Fock Theory
Magnetic Exchange
Theoretical Chemistry
Théorie Hartree-Fock
Théorie de la Fonctionnelle de la Densité
Échange magnétique
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