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calculation
density functional theory
energy
article
4
chemical structure
4
vacuum
4
Article
2
Carbohydrate Conformation
2
Chemical bonds
2
Conformation
2
Conformations
2
Density functional
2
Density functional theory
2
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
2
Inhomogeneous systems
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Models, Molecular
2
Quantum Theory
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Quantum chemistry
2
Quantum fluid 4He
2
Rotamer
2
Rotamers
2
Solvent model
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Solvents
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