Abstract
The results of B3LYP/6-311+G* level of calculations show that the electron density and its Laplacian for the ring critical point (RCP) of the benzene ring as well as its position may be applied as useful parameters describing the H-bond strength for complexes of methoxybenzene with simple proton donors such as: HF, H2O, C2H2, NH2CH3, CH3F and C2H4.
Keywords
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