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Journal Abstract Search

460 related items for PubMed ID: 16833566

  • 21. Can a Cl-H···F Hydrogen Bond Replace a Cl···F Halogen Bond? H2XP:ClY:ZH versus H2XP:ClY:HZ for Y, Z = F, Cl.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2019 May 09; 123(18):3992-3999. PubMed ID: 31032609
    [Abstract] [Full Text] [Related]

  • 22. Electronic structure and chain-length effects in diplatinum polyynediyl complexes trans,trans-[(X)(R3P)2Pt(C triple bond C)(n)Pt(PR3)2(X)]: a computational investigation.
    Zhuravlev F, Gladysz JA.
    Chemistry; 2004 Dec 03; 10(24):6510-22. PubMed ID: 15540262
    [Abstract] [Full Text] [Related]

  • 23. Theoretical investigation of hydrogen bonds between CO and HNF2, H2NF, and HNO.
    Li AY.
    J Phys Chem A; 2006 Sep 21; 110(37):10805-16. PubMed ID: 16970375
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  • 25. Competition between hydrogen bond and halogen bond in complexes of formaldehyde with hypohalous acids.
    Li Q, Xu X, Liu T, Jing B, Li W, Cheng J, Gong B, Sun J.
    Phys Chem Chem Phys; 2010 Jul 07; 12(25):6837-43. PubMed ID: 20461249
    [Abstract] [Full Text] [Related]

  • 26. Self-assembly of luminescent alkynyl-based platinum-cadmium complexes containing auxiliary diimine or terpyridine ligands.
    Berenguer JR, Gil B, Fernández J, Forniés J, Lalinde E.
    Inorg Chem; 2009 Jun 15; 48(12):5250-62. PubMed ID: 19413303
    [Abstract] [Full Text] [Related]

  • 27. Ab initio investigation of the complexes between bromobenzene and several electron donors: some insights into the magnitude and nature of halogen bonding interactions.
    Lu YX, Zou JW, Wang YH, Jiang YJ, Yu QS.
    J Phys Chem A; 2007 Oct 25; 111(42):10781-8. PubMed ID: 17918810
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  • 28. Magnitude and origin of the attraction and directionality of the halogen bonds of the complexes of C6F5X and C6H5X (X = I, Br, Cl and F) with pyridine.
    Tsuzuki S, Wakisaka A, Ono T, Sonoda T.
    Chemistry; 2012 Jan 16; 18(3):951-60. PubMed ID: 22189874
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  • 29. Hypervalency avoided: simple substituted BrF3 and BrF5 molecules. Structures, thermochemistry, and electron affinities of the bromine hydrogen fluorides HBrF2 and HBrF4.
    Li Q, Gong L, Xie Y, Schaefer HF.
    J Am Chem Soc; 2004 Nov 17; 126(45):14950-9. PubMed ID: 15535723
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  • 30. Boron as an Electron-Pair Donor for B⋅⋅⋅Cl Halogen Bonds.
    Alkorta I, Elguero J, Del Bene JE.
    Chemphyschem; 2016 Oct 05; 17(19):3112-3119. PubMed ID: 27412758
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  • 32. A short yet very weak dative bond: structure, bonding, and energetic properties of N(2)-BH(3).
    Smith EL, Sadowsky D, Phillips JA, Cramer CJ, Giesen DJ.
    J Phys Chem A; 2010 Feb 25; 114(7):2628-36. PubMed ID: 20121205
    [Abstract] [Full Text] [Related]

  • 33. Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method.
    Fernández I, Frenking G.
    Chemistry; 2006 Apr 24; 12(13):3617-29. PubMed ID: 16502455
    [Abstract] [Full Text] [Related]

  • 34. S···X halogen bonds and H···X hydrogen bonds in H2CS-XY (XY = FF, ClF, ClCl, BrF, BrCl, and BrBr) complexes: cooperativity and solvent effect.
    Li Q, Li R, Zhou Z, Li W, Cheng J.
    J Chem Phys; 2012 Jan 07; 136(1):014302. PubMed ID: 22239776
    [Abstract] [Full Text] [Related]

  • 35. Reliable structures and energetics for two new delocalized pi...pi prototypes: cyanogen dimer and diacetylene dimer.
    Hopkins BW, Elsohly AM, Tschumper GS.
    Phys Chem Chem Phys; 2007 Apr 07; 9(13):1550-8. PubMed ID: 17429548
    [Abstract] [Full Text] [Related]

  • 36. 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]

  • 37. Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels.
    Pluhácková K, Jurecka P, Hobza P.
    Phys Chem Chem Phys; 2007 Feb 14; 9(6):755-60. PubMed ID: 17268688
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  • 38. Efficient bond function basis set for pi-pi interaction energies.
    Ding Y, Mei Y, Zhang JZ, Tao FM.
    J Comput Chem; 2008 Jan 30; 29(2):275-9. PubMed ID: 17568433
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  • 39. Observation of a double C-H···π interaction in the CH2ClF···HCCH weakly bound complex.
    Elmuti LF, Peebles RA, Peebles SA, Steber AL, Neill JL, Pate BH.
    Phys Chem Chem Phys; 2011 Aug 21; 13(31):14043-9. PubMed ID: 21597626
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  • 40. A new unconventional halogen bond C-X...H-M between HCCX (X = Cl and Br) and HMH (M = Be and Mg): an ab initio study.
    Li QZ, Dong X, Jing B, Li WZ, Cheng JB, Gong BA, Yu ZW.
    J Comput Chem; 2010 Jun 21; 31(8):1662-9. PubMed ID: 20017125
    [Abstract] [Full Text] [Related]

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