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bcd_1_ben_1_plumed.dat
Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'
Fixed Field Text Data - 1.3 KB - MD5: b771f01053e499ba873cda9f424bdc0c
Plumed data file of the simulation box with 1 beta-CD molecule and 1 benzene molecule with 1000 water molecules in plumed format.
bcd_1_pnp_1_plumed.dat
Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'
Fixed Field Text Data - 1.4 KB - MD5: 9e0b9121457a7b707be73a030e4e8b4c
Plumed data file of the simulation box with 1 beta-CD molecule and 1 p-nitrophenol molecule with 1000 water molecules in plumed format.
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