Yes you can get the information about intermolecular H-bond using AIM theory. The necessary indicator for the existence of H-bond interaction is the presence of a bond (3, −1) type critical point (CP). There exists a standard condition for H-bonding in AIM formalism.The extent of electron ensity, ρBCP, and its Laplacian, ∇2ρBCP, for a normal H-bond at the CP should occur in between 0.002 and 0.035 and 0.024 and 0.139 au. You will get the necessary information and references from the article J. Phys. Chem. A 2012, 116, 2536−2546. Hope it helps.
Thank you so much for your answer.
these are the conditions for intramolecular HB and I also used to calculate HB in glucoside but I exactly don't know whether I should use the same condition for HB between two different mol. or not.
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