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633 related items for PubMed ID: 18270959

  • 1. Blue shifts of the C-H stretching vibrations in hydrogen-bonded and protonated trimethylamine. Effect of hyperconjugation on bond properties.
    Chandra AK, Parveen S, Das S, Zeegers-Huyskens T.
    J Comput Chem; 2008 Jul 15; 29(9):1490-6. PubMed ID: 18270959
    [Abstract] [Full Text] [Related]

  • 2. Anomeric effects in the symmetrical and asymmetrical structures of triethylamine. Blue-shifts of the C-h stretching vibrations in complexed and protonated triethylamine.
    Chandra AK, Parveen S, Zeegers-Huyskens T.
    J Phys Chem A; 2007 Sep 13; 111(36):8884-91. PubMed ID: 17711270
    [Abstract] [Full Text] [Related]

  • 3. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN, Watts HD, Guo J, Catchmark JM, Kubicki JD.
    Carbohydr Res; 2010 Aug 16; 345(12):1741-51. PubMed ID: 20580346
    [Abstract] [Full Text] [Related]

  • 4. Theoretical study of (CH...C)- hydrogen bonds in CH(4-n)X(n) (X = F, Cl; n = 0, 1, 2) systems complexed with their homoconjugate and heteroconjugate carbanions.
    Chandra AK, Zeegers-Huyskens T.
    J Phys Chem A; 2005 Dec 29; 109(51):12006-13. PubMed ID: 16366655
    [Abstract] [Full Text] [Related]

  • 5. Blue- and red-shifting CH...O hydrogen bonded complexes between haloforms and ethers: correlation of donor nu(C-H) spectral shifts with C-O-C angular strain of the acceptors.
    Mukhopadhyay A, Pandey P, Chakraborty T.
    J Phys Chem A; 2010 Apr 15; 114(14):5026-33. PubMed ID: 20334425
    [Abstract] [Full Text] [Related]

  • 6. Modeling of hydrogen bonds in monohydrated 2,4-dithiothymine: an ab initio and AIM study.
    He W, Xue Y, Zhang H, Tian A, Wong NB.
    J Phys Chem B; 2006 Jan 26; 110(3):1416-22. PubMed ID: 16471692
    [Abstract] [Full Text] [Related]

  • 7. Theoretical investigation of the interaction between fluorinated dimethyl ethers (nF = 1-5) and water: role of the acidity and basicity on the competition between OH...O and CH...O hydrogen bonds.
    Parveen S, Chandra AK, Zeegers-Huyskens T.
    J Phys Chem A; 2009 May 28; 113(21):6182-91. PubMed ID: 19422184
    [Abstract] [Full Text] [Related]

  • 8. Electronic properties of multifurcated bent hydrogen bonds CH3...Y and CH2...Y.
    Li AY, Yan XH.
    Phys Chem Chem Phys; 2007 Dec 21; 9(47):6263-71. PubMed ID: 18046475
    [Abstract] [Full Text] [Related]

  • 9. Blue shifting C-H...O hydrogen bonded complexes between chloroform and small cyclic ketones: ring-size effects on stability and spectral shifts.
    Mukhopadhyay A, Mukherjee M, Pandey P, Samanta AK, Bandyopadhyay B, Chakraborty T.
    J Phys Chem A; 2009 Apr 02; 113(13):3078-87. PubMed ID: 19320514
    [Abstract] [Full Text] [Related]

  • 10. Red-shifted hydrogen bonds and blue-shifted van der Waals contact in the standard Watson-Crick adenine-thymine base pair.
    Zhou PP, Qiu WY.
    J Phys Chem A; 2009 Sep 24; 113(38):10306-20. PubMed ID: 19715282
    [Abstract] [Full Text] [Related]

  • 11. Theoretical and experimental studies of enflurane. Infrared spectra in solution, in low-temperature argon matrix and blue shifts resulting from dimerization.
    Michalska D, Bieńko DC, Czarnik-Matusewicz B, Wierzejewska M, Sandorfy C, Zeegers-Huyskens T.
    J Phys Chem B; 2007 Oct 25; 111(42):12228-38. PubMed ID: 17914793
    [Abstract] [Full Text] [Related]

  • 12. Gigantic blue shift of the H-Ar stretch vibration in pi hydrogen-bonded C(2)H(2)...HArCCF complex.
    Cheng J, Wang Y, Li Q, Liu Z, Li W, Gong B.
    J Phys Chem A; 2009 Apr 30; 113(17):5235-9. PubMed ID: 19341252
    [Abstract] [Full Text] [Related]

  • 13. Cryospectroscopic and ab initio studies of haloform-trimethylamine H-bonded complexes.
    Rutkowski KS, Karpfen A, Melikova SM, Herrebout WA, Koll A, Wolschann P, van der Veken BJ.
    Phys Chem Chem Phys; 2009 Mar 14; 11(10):1551-63. PubMed ID: 19240932
    [Abstract] [Full Text] [Related]

  • 14. A theoretical investigation of the interaction between substituted carbonyl derivatives and water: open or cyclic complexes?
    Chandra AK, Zeegers-Huyskens T.
    J Comput Chem; 2012 Apr 30; 33(11):1131-41. PubMed ID: 22344933
    [Abstract] [Full Text] [Related]

  • 15. On the origin of red and blue shifts of X-H and C-H stretching vibrations in formic acid (formate ion) and proton donor complexes.
    Tâme Parreira RL, Galembeck SE, Hobza P.
    Chemphyschem; 2007 Jan 08; 8(1):87-92. PubMed ID: 17121408
    [Abstract] [Full Text] [Related]

  • 16. Theoretical study of the structures and vibrational spectra of the hydrogen-bonded systems of 4-cyanophenol with N-bases.
    Dimitrova Y, Tsenov JA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov 08; 68(3):454-9. PubMed ID: 17336137
    [Abstract] [Full Text] [Related]

  • 17. Remarkable metal counterion effect on the internucleotide J-couplings and chemical shifts of the N-H...N hydrogen bonds in the W-C base pairs.
    Li H, Cukier RI, Bu Y.
    J Phys Chem B; 2008 Jul 31; 112(30):9174-81. PubMed ID: 18598072
    [Abstract] [Full Text] [Related]

  • 18. Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers.
    Zierkiewicz W, Michalska D, Zeegers-Huyskens T.
    Phys Chem Chem Phys; 2010 Nov 07; 12(41):13681-91. PubMed ID: 20856955
    [Abstract] [Full Text] [Related]

  • 19. Supramolecular silanol chemistry in the gas phase. Topological (AIM) and population (NBO) analyses of hydrogen-bonded complexes between H3SiOH and selected O- and N-acceptor molecules.
    Beckmann J, Grabowsky S.
    J Phys Chem A; 2007 Mar 15; 111(10):2011-9. PubMed ID: 17305322
    [Abstract] [Full Text] [Related]

  • 20. Time-dependent density functional theory study on excited-state dihydrogen bonding O-H···H-Ge of the dihydrogen-bonded phenol-triethylgermanium complex.
    Wei NN, Hao C, Xiu Z, Chen J, Qiu J.
    J Comput Chem; 2010 Dec 15; 31(16):2853-8. PubMed ID: 20928848
    [Abstract] [Full Text] [Related]

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