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calculation
density functional theory
energy
article
2
chemical structure
2
vacuum
2
Article
1
Carbohydrate Conformation
1
Chemical bonds
1
Conformation
1
Conformations
1
Density functional
1
Density functional theory
1
Divergent behaviors
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Exhaustive search
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Experimental values
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Free energy
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Free-energy calculations
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Galactose
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Geometrical differences
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Hydrogen bonds
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Inhomogeneous systems
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Models, Molecular
1
Quantum Theory
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Quantum chemistry
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Quantum fluid 4He
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Rotamer
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Rotamers
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Solvent model
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Solvents
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