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Framework flexibility and host-guest hydrogen bonding in the metal-organic do...
The recently reported double perovskite analogue imidazolium potassium iron(III) cyanide is noteworthy for two reasons. First, the order-disorder phase transitions, in which the... -
The role of water in host-guest interaction
One of the main applications of atomistic computer simulations is the calculation of ligand binding free energies. The accuracy of these calculations depends on the force field...