BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

1372 related articles for article (PubMed ID: 21978376)

  • 1. Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4).
    Mateus MP; Galamba N; Cabral BJ
    J Phys Chem A; 2011 Nov; 115(46):13714-23. PubMed ID: 21978376
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Stepwise association of hydrogen cyanide and acetonitrile with the benzene radical cation: structures and binding energies of (C6H6•+)(HCN)n, n = 1-6, and (C6H6•+)(CH3CN)n, n = 1-4, clusters.
    Hamid AM; Soliman AR; El-Shall MS
    J Phys Chem A; 2013 Feb; 117(6):1069-78. PubMed ID: 22671581
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Substituent effects on noncovalent bonds: complexes of ionized benzene derivatives with hydrogen cyanide.
    Attah IK; Hamid AM; Meot-Ner Mautner M; El-Shall MS; Aziz SG; Alyoubi AO
    J Phys Chem A; 2013 Oct; 117(41):10588-97. PubMed ID: 24024653
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reactions between aromatic hydrocarbons and heterocycles: covalent and proton-bound dimer cations of benzene/pyridine.
    El-Shall MS; Ibrahim YM; Alsharaeh EH; Meot-Ner Mautner M; Watson SP
    J Am Chem Soc; 2009 Jul; 131(29):10066-76. PubMed ID: 19621961
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex.
    Tsuzuki S; Uchimaru T; Mikami M
    J Phys Chem B; 2009 Apr; 113(16):5617-21. PubMed ID: 19331351
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes.
    Donoso-Tauda O; Jaque P; Santos JC
    Phys Chem Chem Phys; 2011 Jan; 13(4):1552-9. PubMed ID: 21116561
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ab initio quantum mechanics analysis of imidazole C-H...O water hydrogen bonding and a molecular mechanics forcefield correction.
    Ornstein RL; Zheng YJ
    J Biomol Struct Dyn; 1997 Jun; 14(6):657-65. PubMed ID: 9195335
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Nature of the N-H...S hydrogen bond.
    Biswal HS; Wategaonkar S
    J Phys Chem A; 2009 Nov; 113(46):12763-73. PubMed ID: 19831376
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).
    Wu DY; Duan S; Liu XM; Xu YC; Jiang YX; Ren B; Xu X; Lin SH; Tian ZQ
    J Phys Chem A; 2008 Feb; 112(6):1313-21. PubMed ID: 18215023
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Unconventional hydrogen bonding to organic ions in the gas phase: stepwise association of hydrogen cyanide with the pyridine and pyrimidine radical cations and protonated pyridine.
    Hamid AM; El-Shall MS; Hilal R; Elroby S; Aziz SG
    J Chem Phys; 2014 Aug; 141(5):054305. PubMed ID: 25106585
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.
    Tsuzuki S; Uchimaru T; Mikami M
    J Phys Chem A; 2011 Oct; 115(41):11256-62. PubMed ID: 21812469
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O(-) groups in para-substituted phenol and phenolate derivatives.
    Szatylowicz H; Krygowski TM
    J Phys Chem A; 2010 Oct; 114(40):10885-90. PubMed ID: 20853885
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Characteristics of X-H···π interactions: ab initio and QTAIM studies.
    Grabowski SJ; Lipkowski P
    J Phys Chem A; 2011 May; 115(18):4765-73. PubMed ID: 21491882
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Strong N-H...pi hydrogen bonding in amide-benzene interactions.
    Ottiger P; Pfaffen C; Leist R; Leutwyler S; Bachorz RA; Klopper W
    J Phys Chem B; 2009 Mar; 113(9):2937-43. PubMed ID: 19243205
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab initio study of ternary complexes X:(HCNH)(+):Z with X, Z = NCH, CNH, FH, ClH, and FCl: diminutive cooperative effects on structures, binding energies, and spin-spin coupling constants across hydrogen bonds.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2011 Nov; 115(45):12677-87. PubMed ID: 21639084
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical study of the interplay between lithium bond and hydrogen bond in complexes involved with HLi and HCN.
    Li Q; Hu T; An X; Li W; Cheng J; Gong B; Sun J
    Chemphyschem; 2009 Dec; 10(18):3310-5. PubMed ID: 19830767
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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; 113(21):6182-91. PubMed ID: 19422184
    [TBL] [Abstract][Full Text] [Related]  

  • 18. N-H···π hydrogen-bonding and large-amplitude tipping vibrations in jet-cooled pyrrole-benzene.
    Pfaffen C; Infanger D; Ottiger P; Frey HM; Leutwyler S
    Phys Chem Chem Phys; 2011 Aug; 13(31):14110-8. PubMed ID: 21701717
    [TBL] [Abstract][Full Text] [Related]  

  • 19. p-benzoquinone-benzene clusters as potential nanomechanical devices: a theoretical study.
    Manojkumar TK; Choi HS; Hong BH; Tarakeshwar P; Kim KS
    J Chem Phys; 2004 Jul; 121(2):841-6. PubMed ID: 15260614
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical study of photoacidity of HCN: the effect of complexation with water.
    Muchová E; Spirko V; Hobza P; Nachtigallová D
    Phys Chem Chem Phys; 2006 Nov; 8(42):4866-73. PubMed ID: 17066176
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 69.