Results 21 to 30 of about 68,472 (270)
Frontiers in Chemistry, 2020 The cooperativity between hydrogen and halogen bonds plays an important role in rational drug design. However, mimicking the dynamic cooperation between these bonds is a challenging issue, which has impeded the development of the halogen bond force field.
Tian-ge Dong +4 more
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Molecules, 2021 The formation of a pair of extended networks sustained by halogen bonds based upon two regioisomers of a photoproduct, namely rctt-1,3-bis(4-pyridyl)-2,4-bis(phenyl)cyclobutane (ht-PP) and rctt-1,2-bis(4-pyridyl)-3,4-bis(phenyl)cyclobutane (hh-PP), that ...
Taylor J. Dunning +3 more
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Molecules, 2020 Periodic local vibrational modes were calculated with the rev-vdW-DF2 density functional to quantify the intrinsic strength of the X-I⋯OA-type halogen bonding (X = I or Cl; OA: carbonyl, ether and N-oxide groups) in 32 model systems originating from 20 ...
Yunwen Tao +5 more
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IUCrJ, 2018 Halogen bonds have emerged as noncovalent forces that govern the assembly of molecules in organic solids with a degree of reliability akin to hydrogen bonds.
Michael A. Sinnwell +3 more
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The Tetrel Bonds of Hypervalent Halogen Compounds
Molecules, 2023 The tetrel bond between PhXF2Y(TF3) (T = C and Si; X = Cl, Br, and I; Y = F and Cl) and the electron donor MCN (M = Li and Na) was investigated at the M06-2X/aug-cc-pVDZ level of theory.
Zhihao Niu +2 more
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Halogen bonds involved in binding of halogenated ligands by protein kinases. [PDF]
, 2016 Analysis of 664 known structures of protein kinase complexes with halogenated ligands revealed 424 short contacts between a halogen atom and a potential protein X-bond acceptor, the topology and geometry of which were analyzed according to the type of a ...
Czapinska, Honorata +4 more
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Chinese Journal of Magnetic Resonance, 2017 Halogen bond, as hydrogen bond, is a non-covalent bond. Dynamic nuclear polarization (DNP) technique has been used previously to study hydrogen bonds-mediated intermolecular interactions. However, no study has been carried out so far to study the halogen
GAO Shan +8 more
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Experimental and Theoretical Evidence for Nitrogen-Fluorine Halogen Bonding in Silver-Initiated Radical Fluorinations [PDF]
, 2019 We report experimental and computational evidence for nitrogen–fluorine halogen bonding in Ag(I)-initiated radical C–H fluorinations. Simple pyridines form [N–F–N]+ halogen bonds with Selectfluor to facilitate single-electron reduction by catalytic Ag ...
Baker, Sarah I +4 more
core +5 more sources
Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning [PDF]
, 2015 Halogen bonding, a noncovalent interaction possessing several unique features compared to the more familiar hydrogen bonding, is emerging as a powerful tool in functional materials design.
Barrett C. J. +10 more
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Transmembrane anion transport mediated by halogen-bond donors [PDF]
, 2012 In biology and chemistry, the transport of anions across lipid bilayer membranes is usually achieved by sophisticated supramolecular architectures. Significant size reduction of transporters is hampered by the intrinsically hydrophilic nature of typical ...
A.Vargas Jentzsch +7 more
core +2 more sources