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Иш: Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
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Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions
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Density Functional Theory and Hydrogen Bonds: Are We There Yet?
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The Halogen Bond
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The Nature of the Hydrogen Bond
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Hydrogen Bonding
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Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2(X ═ H, CH3, NH2, OH, F, Cl)
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Influence of Substituents in the Benzene Ring on the Halogen Bond of Iodobenzene with Ammonia
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Effects of carbon chain substituents on the P⋯N noncovalent bond
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The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics
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Sensitivity of noncovalent bonds to intermolecular separation: hydrogen, halogen, chalcogen, and pnicogen bonds
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Pnicogen–π complexes: theoretical study and biological implications
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On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms
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Do intramolecular halogen bonds exist? Ab initio calculations and crystal structures’ evidences
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The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling
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σ-Holes, π-holes and electrostatically-driven interactions
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Origins and properties of the tetrel bond
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Ab Initio (GIAO) Calculations of Absolute Nuclear Shieldings for Representative Compounds Containing 1(2)H, 6(7)Li, 11B, 13C, 14(15)N, 17O, 19F, 29Si, 31P, 33S, and 35Cl Nuclei
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GIAO studies of magnetic shielding in FHF- and HF
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Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes
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Critical assessment of density functional methods for study of proton transfer processes. (FHF)−
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Performance assessment of density‐functional methods for study of charge‐transfer complexes
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Topological reaction sites – very strong chalcogen bonds
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