Semiempirical quantum mechanical methods for noncovalent interactions for chemical and biochemical applications.

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Halogen bonding: the σ-hole

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Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory

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An overview of halogen bonding

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S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

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Parametrization and Benchmark of DFTB3 for Organic Molecules

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Consistent structures and interactions by density functional theory with small atomic orbital basis sets

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Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

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The accuracy of quantum chemical methods for large noncovalent complexes

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