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Free energy
Hydrogen bonds
Molecular dynamics
3
Molecular dynamics simulations
3
Free-energy difference
2
Isotopes
2
Quantum chemistry
2
Quantum electronics
2
Quantum fluctuation
2
Amino acids
1
Article
1
Bioinformatics
1
Carbohydrate Conformation
1
Characteristic time
1
Chemical bonds
1
Conformation
1
Conformations
1
Dangling bonds
1
Density functional theory
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Divergent behaviors
1
Dynamical characteristics
1
Electron transitions
1
Exhaustive search
1
Experimental values
1
Free radical reactions
1
Free-energy calculations
1
Galactose
1
Geometrical differences
1
Hydration free energies
1
Isotope effect
1
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