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A. Rozhkov

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Aug 2026

Beyond the Isolated Halogen-Bond Dimer: Cooperative and Anticooperative Motifs in C6F4I2···HMTA.

Halogen bonding (XB) is often analyzed in terms of isolated dimers, yet under realistic solution conditions, it coexists with a dense, rapidly fluctuating network of weaker contacts whose net effect on bond strength is difficult to quantify. Here, we combine gas-phase quantum-chemical calculations with explicit-solvent...

D. V. Krutin, A. A. Titova, M. Kaplanskiy et al. · 0 citations

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