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Density functional theory
Solvents
chemical structure
Models, Molecular
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Solutions
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Water
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article
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chemistry
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priority journal
2
unclassified drug
2
(3-[2-aminoethyl]indole)
1
3 [2 aminoethyl]indole
1
Anharmonicity
1
Antioxidants
1
Aqueous solvent effect
1
Article
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Atoms in Molecules
1
Carbohydrate Conformation
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Chemical bonds
1
Computer Simulation
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Computer simulation
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Conformation
1
Conformations
1
Divergent behaviors
1
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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