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159 related items for PubMed ID: 24362982

  • 1. Charge transfer in some complexes of crown ether and of thiacrown ether with dihalogens: DFT study.
    Oftadeh M, Kabiri A.
    Acta Chim Slov; 2013; 60(4):790-6. PubMed ID: 24362982
    [Abstract] [Full Text] [Related]

  • 2. A study of donor-acceptor in the charge transfer molecular complexes of some thiacrown ethers with dihalogen molecules by DFT method.
    Oftadeh M, Moghadary M, Solimannejad M, Semnani A.
    Acta Chim Slov; 2013; 60(1):95-104. PubMed ID: 23841337
    [Abstract] [Full Text] [Related]

  • 3. DFT study on the selectivity of complexation of metal cations with a dioxadithia crown ether ligand.
    Korchowiec J, Korchowiec B, Priebe W, Rogalska E.
    J Phys Chem A; 2008 Dec 25; 112(51):13633-40. PubMed ID: 19055400
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  • 4. Atomic dipole polarization in charge-transfer complexes with halogen bonding.
    Bartashevich EV, Tsirelson VG.
    Phys Chem Chem Phys; 2013 Feb 21; 15(7):2530-8. PubMed ID: 23322002
    [Abstract] [Full Text] [Related]

  • 5. Conformational analysis of 9-crown-3, 9-thiacrown-3 and 9-azacrown-3.
    Al-Jallal NA, El-Azhary AA.
    J Mol Graph Model; 2017 Jan 21; 71():257-267. PubMed ID: 28012409
    [Abstract] [Full Text] [Related]

  • 6. DFT modeling on the suitable crown ether architecture for complexation with Cs⁺ and Sr²⁺ metal ions.
    Boda A, Ali SM, Shenoi MR, Rao H, Ghosh SK.
    J Mol Model; 2011 May 21; 17(5):1091-108. PubMed ID: 20676707
    [Abstract] [Full Text] [Related]

  • 7. Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N·X(Y)·HF (X = Cl, Br and Y = F, Cl, Br) complexes.
    Zhou PP, Qiu WY, Liu S, Jin NZ.
    Phys Chem Chem Phys; 2011 Apr 28; 13(16):7408-18. PubMed ID: 21423995
    [Abstract] [Full Text] [Related]

  • 8. On the nature of the stabilization of benzene···dihalogen and benzene···dinitrogen complexes: CCSD(T)/CBS and DFT-SAPT calculations.
    Munusamy E, Sedlak R, Hobza P.
    Chemphyschem; 2011 Dec 09; 12(17):3253-61. PubMed ID: 21997842
    [Abstract] [Full Text] [Related]

  • 9. Large blue shift of the H-Ar stretching frequency in hydrogen- and halogen-bonded complexes of HArF with dihalogen molecules.
    Li Q, Liu Z, Jing B, Li W, Cheng J, Gong B, Sun J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct 01; 77(2):506-11. PubMed ID: 20634128
    [Abstract] [Full Text] [Related]

  • 10. Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor and electronic induction.
    Boda A, Ali SM, Rao H, Ghosh SK.
    J Mol Model; 2012 Aug 01; 18(8):3507-22. PubMed ID: 22318713
    [Abstract] [Full Text] [Related]

  • 11. Conformational study of the structure of 18-thiacrown-6.
    El-Azhary AA.
    J Mol Graph Model; 2013 Sep 01; 45():137-43. PubMed ID: 24036503
    [Abstract] [Full Text] [Related]

  • 12. Theoretical and experimental study on the molecular recognition of adrenaline by supramolecular complexation with crown ethers.
    Liu T, Han L, Yu Z, Zhang D, Liu C.
    Comput Biol Med; 2012 Apr 01; 42(4):480-4. PubMed ID: 22277594
    [Abstract] [Full Text] [Related]

  • 13. On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD(T)/CBS and SAPT calculations.
    Karthikeyan S, Sedlak R, Hobza P.
    J Phys Chem A; 2011 Sep 01; 115(34):9422-8. PubMed ID: 21375294
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  • 18. Structure and spectroscopic properties of phthalocyaninato zinc(II) complexes fused with different number of 15-crown-5 moieties.
    Cai X, Sheng N, Zhang Y, Qi D, Jiang J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Apr 01; 72(3):627-35. PubMed ID: 19097931
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