These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

160 related articles for article (PubMed ID: 20450210)

  • 21. A big data approach to the ultra-fast prediction of DFT-calculated bond energies.
    Qu X; Latino DA; Aires-de-Sousa J
    J Cheminform; 2013; 5():34. PubMed ID: 23849655
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Theoretical study of the substituent effects on the S-H bond dissociation energy and ionization energy of 3-pyridinethiol: Prediction of novel antioxidant.
    Nam PC; Nguyen MT; Chandra AK
    J Phys Chem A; 2006 Sep; 110(37):10904-11. PubMed ID: 16970388
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Sulfur and selenium ylide bond enthalpies.
    Stoffregen SA; McCulla RD; Wilson R; Cercone S; Miller J; Jenks WS
    J Org Chem; 2007 Oct; 72(22):8235-42. PubMed ID: 17902692
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Effect of ring substitution on the S-H bond dissociation enthalpies of thiophenols. An experimental and computational study.
    Mulder P; Mozenson O; Lin S; Bernardes CE; Minas da Piedade ME; Santos AF; Ribeiro da Silva MA; Dilabio GA; Korth HG; Ingold KU
    J Phys Chem A; 2006 Aug; 110(32):9949-58. PubMed ID: 16898699
    [TBL] [Abstract][Full Text] [Related]  

  • 25. O-H bond dissociation enthalpies of oximes: a theoretical assessment and experimental implications.
    Chong SS; Fu Y; Liu L; Guo QX
    J Phys Chem A; 2007 Dec; 111(50):13112-25. PubMed ID: 18034467
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Effects of structure on alpha C-H bond enthalpies of amino acid residues: relevance to H transfers in enzyme mechanisms and in protein oxidation.
    Rauk A; Yu D; Taylor J; Shustov GV; Block DA; Armstrong DA
    Biochemistry; 1999 Jul; 38(28):9089-96. PubMed ID: 10413483
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A theoretical study on the structure-activity relationships of metabolites of folates as antioxidants and its implications for rational design of antioxidants.
    Ji HF; Tang GY; Zhang HY
    Bioorg Med Chem; 2005 Feb; 13(4):1031-6. PubMed ID: 15670910
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Quantum-chemical predictions of redox potentials of organic anions in dimethyl sulfoxide and reevaluation of bond dissociation enthalpies measured by the electrochemical methods.
    Fu Y; Liu L; Wang YM; Li JN; Yu TQ; Guo QX
    J Phys Chem A; 2006 May; 110(17):5874-86. PubMed ID: 16640384
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculations.
    Maurer P; Iftimie R
    J Chem Phys; 2010 Feb; 132(7):074112. PubMed ID: 20170220
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Homolysis of N-alkoxyamines: a computational study.
    Gaudel-Siri A; Siri D; Tordo P
    Chemphyschem; 2006 Feb; 7(2):430-8. PubMed ID: 16463333
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Substituent effects on O--H bond dissociation enthalpies and ionization potentials of catechols: a DFT study and its implications in the rational design of phenolic antioxidants and elucidation of structure-activity relationships for flavonoid antioxidants.
    Zhang HY; Sun YM; Wang XL
    Chemistry; 2003 Jan; 9(2):502-8. PubMed ID: 12532299
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acids.
    Böhm S; Exner O
    J Comput Chem; 2006 Apr; 27(5):571-7. PubMed ID: 16470668
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Relationships for the impact sensitivities of energetic C-nitro compounds based on bond dissociation energy.
    Li J
    J Phys Chem B; 2010 Feb; 114(6):2198-202. PubMed ID: 20092267
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Homolytic C-H and N-H bond dissociation energies of strained organic compounds.
    Feng Y; Liu L; Wang JT; Zhao SW; Guo QX
    J Org Chem; 2004 Apr; 69(9):3129-38. PubMed ID: 15104452
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A diffusion Monte Carlo study of the O-H bond dissociation of phenol.
    Wang J; Domin D; Austin B; Zubarev DY; McClean J; Frenklach M; Cui T; Lester WA
    J Phys Chem A; 2010 Sep; 114(36):9832-5. PubMed ID: 20825240
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Structural changes, P-P bond energies, and homolytic dissociation enthalpies of substituted diphosphines from quantum mechanical calculations.
    Borisenko KB; Rankin DW
    Inorg Chem; 2003 Nov; 42(22):7129-36. PubMed ID: 14577781
    [TBL] [Abstract][Full Text] [Related]  

  • 37. PCM study of the solvent and substituent effects on the conformers, intramolecular hydrogen bonds and bond dissociation enthalpies of 2-substituted phenols.
    Lithoxoidou AT; Bakalbassis EG
    J Phys Chem A; 2005 Jan; 109(2):366-77. PubMed ID: 16833355
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Computational study on the bond dissociation enthalpies in the enolic and ketonic forms of beta-diketones: their influence on metal-ligand bond enthalpies.
    Gomes JR; da Silva MA
    J Phys Chem A; 2006 Dec; 110(51):13948-55. PubMed ID: 17181355
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Water effect on the o-h dissociation enthalpy of para-substituted phenols: a DFT study.
    Guerra M; Amorati R; Pedulli GF
    J Org Chem; 2004 Aug; 69(16):5460-7. PubMed ID: 15287797
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Predictions of the fluorine NMR chemical shifts of perfluorinated carboxylic acids, CnF(2n+1)COOH (n = 6-8).
    Liu Z; Goddard JD
    J Phys Chem A; 2009 Dec; 113(50):13921-31. PubMed ID: 19863096
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.