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Density functional theory
Solvents
chemical structure
Models, Molecular
4
Solutions
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Water
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article
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chemistry
4
priority journal
4
unclassified drug
4
(3-[2-aminoethyl]indole)
2
3 [2 aminoethyl]indole
2
Anharmonicity
2
Antioxidants
2
Aqueous solvent effect
2
Article
2
Atoms in Molecules
2
Carbohydrate Conformation
2
Chemical bonds
2
Computer Simulation
2
Computer simulation
2
Conformation
2
Conformations
2
Divergent behaviors
2
Exhaustive search
2
Experimental values
2
Free energy
2
Free-energy calculations
2
Galactose
2
Geometrical differences
2
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