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Molecular dynamics
6
Solvents
6
article
5
Thermodynamics
4
Charge transfer
3
Computer Simulation
3
Computer simulation
3
Probability density function
3
Quantum theory
3
chemical structure
3
computer simulation
3
Activation energy
2
Ammonia
2
Carbohydrates
2
Charge transfer to solvent (CTTS)
2
Electron detachment energies
2
Iodine
2
Ligands
2
Models, Chemical
2
Models, Molecular
2
Molecular dynamics trajectory
2
Molecular structure
2
Phase transitions
2
Photon absorption
2
Photons
2
Potassium
2
Proteins
2
Solvation
2
Solvent effects
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Water
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