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Growth Des. Moreover, very interestingly, the stability pattern of the host—guest complexes enhances for the CFC models when the number of Cl atoms is increased. This theoretical study portrays an inclusive information about the structural, stability, and electronic feature analyses of the host—guest assemblies consisting of the halogen and H-bonding interactions at the atomic level where the influences of such halocarbon solvents play crucial roles in comprehending and managing chemical reactions. Weak intermolecular interaction is a major topic in nonbonding research. These weak HBs have been well exercised in the past couple of decades, mainly by crystallography and spectroscopy. Our study supplies a theoretical basis for the experimental finding of binding interactions and further enables us to directly compare the magnitude of such interactions with the experiment-based parameters acquired from the single-crystal X-ray experiments of host—guest complexes HGCs. Scheme 1 Scheme 1. Strength-Based Approach Case Study Strength-Based Approach Case Study

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Strength-Based Approach Case Study

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Strength-Based Approach Case Study

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