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Computer simulation
Liquids
Ammonia
1
Ammonia molecules
1
Bulk ice
1
Bulk liquid
1
Chemical shielding
1
Chemical shift
1
Density functional theory
1
Density functional theory calculations
1
Deuterated liquids
1
Deuterium
1
Electronic polarization
1
Enthalpy
1
Error bars
1
Experimental values
1
Filling
1
Filling fractions
1
Geometry relaxation
1
Hydrogen bonded molecules
1
Hydrophilic and hydrophobic
1
Hydrophilic pores
1
Hydrophilicity
1
Hydrophobic and hydrophilic
1
Hydrophobic pore
1
Hydrophobicity
1
Ice
1
Ice core
1
Ice phase
1
Iterative procedures
1
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1
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2JOUR