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Computer simulation
Filling
2
Hydrophilic pores
2
Hydrophilicity
2
Hydrophobic pore
2
Molecular dynamics
2
Molecular dynamics simulations
2
Nanopores
2
Ab initio quantum chemistry methods
1
Activation energy
1
Adsorption
1
Adsorption energies
1
Aromatic compounds
1
Bulk ice
1
Bulk liquid
1
Catalysis
1
Catalyst activity
1
Chorismate mutase
1
Coarse grained models
1
Condensed phase
1
Counterions
1
Cylindrical Pores
1
Dimerization
1
Dynamical properties
1
Enthalpy
1
Enzymes
1
Error bars
1
Filling fractions
1
Fluorine compounds
1
Hydrophilic and hydrophobic
1
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1
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2JOUR
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3
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4