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| Q37349746 | Force Field Model of Periodic Trends in Biomolecular Halogen Bonds |
| Q91692357 | Halogen Bonding from the Bonding Perspective with Considerations for Mechanisms of Thyroid Hormone Activation and Inhibition |
| Q41012447 | Halogen Bonding: A Powerful Tool for Modulation of Peptide Conformation. |
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| Q44079637 | Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds. |
| Q48290233 | Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study |
| Q38066153 | Halogen bonding (X-bonding): a biological perspective. |
| Q27673373 | Halogen bonding at the active sites of human cathepsin L and MEK1 kinase: efficient interactions in different environments |
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| Q85884659 | Halogen bonding: an interim discussion |
| Q53150499 | Halogen bonds and σ-holes. |
| Q53542270 | Halogen bonds enhanced by σ-hole and π-hole interactions: a comparative study on cooperativity and competition effects between X∙∙∙N and S∙∙∙N interactions in H3N∙∙∙XCN∙∙∙SF2 and H 3N∙∙∙XCN∙∙∙SO2 complexes (X = F, Cl, Br and I). |
| Q58444960 | Halogen bonds in crystal TTF derivatives: an ab initio quantum mechanical study |
| Q52845093 | Halogen transfer through halogen bonds in halogen-bound ammonia homodimers. |
| Q58880808 | Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations |
| Q35181268 | Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery |
| Q39292017 | Highly Selective Halide Receptors Based on Chalcogen, Pnicogen, and Tetrel Bonds |
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| Q86255710 | Insights into the strength and nature of carbene···halogen bond interactions: a theoretical perspective |
| Q36254666 | Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface |
| Q84465573 | Investigation of H-bonding and halogen-bonding effects in dichloroacetic acid: DFT calculations of NQR parameters and QTAIM analysis |
| Q38564398 | London dispersion in molecular chemistry--reconsidering steric effects. |
| Q50957311 | Mathematical modeling and physical reality in noncovalent interactions. |
| Q45382556 | Matrix-isolated hydrogen-bonded and van der Waals complexes of hydrogen peroxide with OCS and CS2. |
| Q30847635 | Mechanochemical synthesis of N-salicylidene-aniline: thermosalient effect of polymorphic crystals |
| Q84241413 | Molecular mechanical perspective on halogen bonding |
| Q38335784 | Molecular recognition in chemical and biological systems |
| Q44554964 | Molecular structure differences between the antiviral Nucleoside Analogue 5-iodo-2'-deoxyuridine and the natural nucleoside 2'-deoxythymidine using MP2 and DFT methods: conformational analysis, crystal simulations, DNA pairs and possible behaviour. |
| Q48048353 | Multicenter (FX)n/NH₃ Halogen Bonds (X = Cl, Br and n = 1-5). QTAIM Descriptors of the Strength of the X∙∙∙N Interaction. |
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| Q48051062 | Nature of the guest-host interactions for dibromine in the T, P, and H clathrate cages |
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| Q58445117 | Noncovalent interactions in biochemistry |
| Q91627052 | On the Interplay between Charge-Shift Bonding and Halogen Bonding |
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| Q52449184 | Pnictogen bonding in pyrazine•PnX5 (Pn = P, As, Sb and X = F, Cl, Br) complexes. |
| Q50268485 | Polarization-induced σ-holes and hydrogen bonding |
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| Q47270485 | Revealing the Chemistry between Band Gap and Binding Energy for Lead-/Tin-Based Trihalide Perovskite Solar Cell Semiconductors |
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| Q48055148 | Simultaneous Occurrence of Quadruple Lewis Acid-Base Interactions between Selenium Atoms in Selenocarbonyl Dimers. |
| Q48044641 | Source of Cooperativity in Halogen-Bonded Haloamine Tetramers |
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| Q28077775 | The Halogen Bond |
| Q49141212 | The assessment and application of an approach to noncovalent interactions: the energy decomposition analysis (EDA) in combination with DFT of revised dispersion correction (DFT-D3) with Slater-type orbital (STO) basis set. |
| Q50216726 | The electronic mechanism ruling the dihydrogen bonds and halogen bonds in weakly bound systems of H3SiH···HOX and H 3SiH···XOH (X = F, Cl, and Br). |
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| Q50440166 | Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes |
| Q37302059 | Theoretical description of halogen bonding - an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV) |
| Q53638613 | Theoretical exploration of the nanoscale host-guest interactions between [n]cycloparaphenylenes (n = 10, 8 and 9) and fullerene C₆₀: from single- to three-potential well. |
| Q42956781 | Theoretical insights into the nature of halogen bonding in prereactive complexes. |
| Q50216984 | Theoretical investigation of the halogen bonded complexes between carbonyl bases and molecular chlorine |
| Q82680392 | Theoretical investigations of the H···π and X (X = F, Cl, Br, I)···π complexes between hypohalous acids and benzene |
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