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Density functional theory
Solvents
chemical structure
chemistry
Anharmonicity
2
Article
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
Hydrogen bonds
2
Models, Chemical
2
Models, Molecular
2
Molecular Structure
2
Molecular dynamics
2
Molecular structure
2
Nitrogen compounds
2
Peroxynitrite structure
2
Peroxynitrous Acid
2
Probability density function
2
Quantum Theory
2
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